2-[6-(diethylamino)-3-oxidanylidene-2-[(2Z)-2-(2-oxidanylidene-4-sulfo-naphthalen-1-ylidene)hydrazinyl]xanthen-9-yl]benzoic acid

Systemtic Name: 2-[6-(diethylamino)-3-oxidanylidene-2-[(2Z)-2-(2-oxidanylidene-4-sulfo-naphthalen-1-ylidene)hydrazinyl]xanthen-9-yl]benzoic acid Openeye Name: 2-[6-(diethylamino)-3-oxo-2-[(2Z)-2-(2-oxo-4-sulfo-1-naphthylidene)hydrazino]xanthen-9-yl]benzoic acid CAS Name: 2-[6-(diethylamino)-3-oxo-2-[(2Z)-2-(2-oxo-4-sulfo-1-naphthalenylidene)hydrazinyl]-9-xanthenyl]benzoic acid IUPAC Name: 2-[6-(diethylamino)-3-oxo-2-[(2Z)-2-(2-oxo-4-sulfonaphthalen-1-ylidene)hydrazinyl]xanthen-9-yl]benzoic acid Traditional Name: 2-[6-(diethylamino)-3-keto-2-[(N'Z)-N'-(2-keto-4-sulfo-1-naphthylidene)hydrazino]xanthen-9-yl]benzoic acid Formula: C34H27N3O8S MolecularWeight: 637.65848

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=C(C(=O)C=C3O2)NN=C4C5=CC=CC=C5C(=CC4=O)S(=O)(=O)O)C6=CC=CC=C6C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=C(C(=O)C=C3O2)N/N=C\4/C5=CC=CC=C5C(=CC4=O)S(=O)(=O)O)C6=CC=CC=C6C(=O)O

InChI

InChI=1S/C34H27N3O8S/c1-3-37(4-2)19-13-14-24-29(15-19)45-30-17-27(38)26(16-25(30)32(24)21-10-6-8-12-23(21)34(40)41)35-36-33-22-11-7-5-9-20(22)31(18-28(33)39)46(42,43)44/h5-18,35H,3-4H2,1-2H3,(H,40,41)(H,42,43,44)/b36-33-