3-[[1-[[2,5-bis(chloranyl)-4-[[2-[(2,3-dicarboxyphenyl)diazenyl]-3-oxidanylidene-butanoyl]amino]phenyl]amino]-1,3-bis(oxidanylidene)butan-2-yl]diazenyl]phthalic acid

Systemtic Name: 3-[[1-[[2,5-bis(chloranyl)-4-[[2-[(2,3-dicarboxyphenyl)diazenyl]-3-oxidanylidene-butanoyl]amino]phenyl]amino]-1,3-bis(oxidanylidene)butan-2-yl]diazenyl]phthalic acid Openeye Name: 3-[1-[[2,5-dichloro-4-[[2-(2,3-dicarboxyphenyl)azo-3-oxo-butanoyl]amino]phenyl]carbamoyl]-2-oxo-propyl]azophthalic acid CAS Name: 3-[1-[2,5-dichloro-4-[[2-(2,3-dicarboxyphenyl)azo-1,3-dioxobutyl]amino]anilino]-1,3-dioxobutan-2-yl]azophthalic acid IUPAC Name: 3-[[1-[2,5-dichloro-4-[[2-[(2,3-dicarboxyphenyl)diazenyl]-3-oxobutanoyl]amino]anilino]-1,3-dioxobutan-2-yl]diazenyl]phthalic acid Traditional Name: 3-[1-[[2,5-dichloro-4-[[2-(2,3-dicarboxyphenyl)azo-3-keto-butanoyl]amino]phenyl]carbamoyl]-2-keto-propyl]azophthalic acid Formula: C30H22Cl2N6O12 MolecularWeight: 729.43468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C(C(=O)C)N=NC2=CC=CC(=C2C(=O)O)C(=O)O)Cl)N=NC3=CC=CC(=C3C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)C(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C(C(=O)C)N=NC2=CC=CC(=C2C(=O)O)C(=O)O)Cl)N=NC3=CC=CC(=C3C(=O)O)C(=O)O

InChI

InChI=1S/C30H22Cl2N6O12/c1-11(39)23(37-35-17-7-3-5-13(27(43)44)21(17)29(47)48)25(41)33-19-9-16(32)20(10-15(19)31)34-26(42)24(12(2)40)38-36-18-8-4-6-14(28(45)46)22(18)30(49)50/h3-10,23-24H,1-2H3,(H,33,41)(H,34,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)