Calcium Bis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]

Benzenesulfonic acid, 4-[2-[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-3-nitro-, calcium salt (2:1)
Benzenesulfonic acid, 4-[[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitro-, calcium salt (2:1)
C.I. Pigment Yellow 62
Graphtol Yellow RL
Irgafiner Yellow E 2
Irgalite Yellow WSR
Irgaplast Yellow R
Irgaplast Yellow RS
Paliotol Yellow K 1420
Pigment Yellow 62
Yellow K 1420

Property	Value
InChI2D key string chemrof:inchi2d_key_string	HHIWXOJCMNFRBW-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string	InChI=1S/2C17H16N4O7S.Ca/c21-10-5-3-4-6-13(10)18-17(23)16(11(2)22)20-19-14-8-7-12(29(26,27)28)9-15(14)21(24)25;/h23-9,16H,1-2H3,(H,18,23)(H,26,27,28);/q;;+2/p-2
IUPAC name chemrof:IUPAC_name	Calcium Bis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]
Molecular formula chemrof:molecular_formula	C34H30CaN8O14S2
Molecular mass chemrof:molecular_mass	460.481, 878.868
Monoisotopic mass chemrof:monoisotopic_mass	460.036561, 878.094881
SMILES string chemrof:smiles_string	CC(=O)C(N=Nc1ccc(S(=O)(=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1C.CC(=O)C(N=Nc1ccc(S(=O)(=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1C.[Ca+2]

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=12286-66-7	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/156592319	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
2c3bd456-d8d3-4132-afbb-eb0fad38825f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
5c2aecad-a866-451e-bdf3-277dd3be1ca0	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
2759fe93-a249-42f7-b9b2-a6aeb84e7d7b	Environmental → Air → Indoor	EF 3.1	kg	4
f14af133-50e1-48f5-90e6-63d4d92dc064	Environmental → Air → Long-term	EF 3.1	kg	0
f07c8cc6-73ec-4b39-a5bf-ce557d9bcc5a	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
46f42373-6eaa-452b-a93e-eed4ef898f35	Environmental → Air → Unknown	EF 3.1	kg	4
df22b3d3-3467-483e-b217-60a3eaacbbf8	Environmental → Ground → Agricultural	EF 3.1	kg	4
a59acfb7-c13e-46ad-afac-8840fdf3e301	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
7dbfa6f8-dfe6-411a-b01f-b0c5f6647938	Environmental → Ground → Unknown	EF 3.1	kg	4
e968cc29-f590-436d-b188-689819f902b0	Environmental → Water → Long-term	EF 3.1	kg	0
c09f0b8b-7202-4e1a-ac06-0f5c9ccec754	Environmental → Water → Ocean	EF 3.1	kg	4
377ade33-8cb7-41d5-81bb-5bb083fc19ec	Environmental → Water → Surface water	EF 3.1	kg	4
35ad5dda-f570-42f3-944a-fe53191ba26d	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

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Calcium Bis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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