trisodium 5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfonatophenyl)methyl]-3-methyl-2-oxidobenzoate

CAS: 1667-99-8

Formula: C23H13Cl2Na3O9S

SMILES: [Na+].[Na+].[Na+].CC1=CC(=CC(C([O-])=O)=C1[O-])C(=C1C=C(C)C(=O)C(=C1)C(O)=O)C1=C(Cl)C=CC(=C1Cl)S([O-])(=O)=O

IUPAC: trisodium 5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfonatophenyl)methyl]-3-methyl-2-oxidobenzoate

InChI: InChI=1S/C23H16Cl2O9S.3Na/c1-9-5-11(7-13(20(9)26)22(28)29)17(12-6-10(2)21(27)14(8-12)23(30)31)18-15(24)3-4-16(19(18)25)35(32,33)34;;;/h3-8,26H,1-2H3,(H,28,29)(H,30,31)(H,32,33,34);;;/q;3*+1/p-3

Composition: C (45.64%), H (2.16%), Cl (11.71%), Na (11.39%), O (23.79%), S (5.30%)

Molar Mass: 605.28

Atom Count: 51

Heavy Atom Count: 38