disodium 5-[2-(5-acetamido-2-sulfonato-phenyl)hydrazinyl]-6-(2,6-dimethylphenyl)imino-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium 5-[2-(5-acetamido-2-sulfonato-phenyl)hydrazinyl]-6-(2,6-dimethylphenyl)imino-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium 5-[2-(5-acetamido-2-sulfonato-phenyl)hydrazino]-6-(2,6-dimethylphenyl)imino-4-oxo-naphthalene-2-sulfonate CAS Name: disodium 5-[(5-acetamido-2-sulfonatophenyl)hydrazo]-6-(2,6-dimethylphenyl)imino-4-oxo-2-naphthalenesulfonate IUPAC Name: disodium 5-[2-(5-acetamido-2-sulfonatophenyl)hydrazinyl]-6-(2,6-dimethylphenyl)imino-4-oxonaphthalene-2-sulfonate Traditional Name: disodium 5-[N'-(5-acetamido-2-sulfonato-phenyl)hydrazino]-6-(2,6-dimethylphenyl)imino-4-keto-naphthalene-2-sulfonate Formula: C26H22N4Na2O8S2 MolecularWeight: 628.58442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N=C2C=CC3=CC(=CC(=O)C3=C2NNC4=C(C=CC(=C4)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C(=CC=C1)C)N=C2C=CC3=CC(=CC(=O)C3=C2NNC4=C(C=CC(=C4)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C26H24N4O8S2.2Na/c1-14-5-4-6-15(2)25(14)28-20-9-7-17-11-19(39(33,34)35)13-22(32)24(17)26(20)30-29-21-12-18(27-16(3)31)8-10-23(21)40(36,37)38;;/h4-13,29-30H,1-3H3,(H,27,31)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2