5-[(2E)-2-[6-[(4-azanyl-3-sulfo-phenyl)amino]-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]-6-methyl-naphthalene-2-carboxylic acid

Systemtic Name: 5-[(2E)-2-[6-[(4-azanyl-3-sulfo-phenyl)amino]-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]-6-methyl-naphthalene-2-carboxylic acid Openeye Name: 5-[(2E)-2-[6-(4-amino-3-sulfo-anilino)-1-oxo-3-sulfo-2-naphthylidene]hydrazino]-6-methyl-naphthalene-2-carboxylic acid CAS Name: 5-[(2E)-2-[6-(4-amino-3-sulfoanilino)-1-oxo-3-sulfo-2-naphthalenylidene]hydrazinyl]-6-methyl-2-naphthalenecarboxylic acid IUPAC Name: 5-[(2E)-2-[6-(4-amino-3-sulfoanilino)-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]-6-methylnaphthalene-2-carboxylic acid Traditional Name: 5-[(N'E)-N'-[6-(4-amino-3-sulfo-anilino)-1-keto-3-sulfo-2-naphthylidene]hydrazino]-6-methyl-2-naphthoic acid Formula: C28H22N4O9S2 MolecularWeight: 622.62568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C=C2)C(=O)O)NN=C3C(=CC4=C(C3=O)C=CC(=C4)NC5=CC(=C(C=C5)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C=C2)C(=O)O)N/N=C\3/C(=CC4=C(C3=O)C=CC(=C4)NC5=CC(=C(C=C5)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H22N4O9S2/c1-14-2-3-15-10-16(28(34)35)4-7-20(15)25(14)31-32-26-24(43(39,40)41)12-17-11-18(5-8-21(17)27(26)33)30-19-6-9-22(29)23(13-19)42(36,37)38/h2-13,30-31H,29H2,1H3,(H,34,35)(H,36,37,38)(H,39,40,41)/b32-26-