8-[(2E)-2-(8-acetamido-1-oxidanylidene-3,5-disulfo-naphthalen-2-ylidene)hydrazinyl]-5-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate

Systemtic Name: 8-[(2E)-2-(8-acetamido-1-oxidanylidene-3,5-disulfo-naphthalen-2-ylidene)hydrazinyl]-5-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate Openeye Name: 8-[(2E)-2-(8-acetamido-1-oxo-3,5-disulfo-2-naphthylidene)hydrazino]-5-(4-sulfonatophenyl)azo-naphthalene-2-sulfonate CAS Name: 8-[(2E)-2-(8-acetamido-1-oxo-3,5-disulfo-2-naphthalenylidene)hydrazinyl]-5-(4-sulfonatophenyl)azo-2-naphthalenesulfonate IUPAC Name: 8-[(2E)-2-(8-acetamido-1-oxo-3,5-disulfonaphthalen-2-ylidene)hydrazinyl]-5-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate Traditional Name: 8-[(N'E)-N'-(8-acetamido-1-keto-3,5-disulfo-2-naphthylidene)hydrazino]-5-(4-sulfonatophenyl)azo-naphthalene-2-sulfonate Formula: C28H19N5O14S4-2 MolecularWeight: 777.73556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)O)C=C(C(=NNC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C2=O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)O)C=C(/C(=N/NC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])/C2=O)S(=O)(=O)O

InChI

InChI=1S/C28H21N5O14S4/c1-14(34)29-23-10-11-24(50(42,43)44)20-13-25(51(45,46)47)27(28(35)26(20)23)33-32-22-9-8-21(18-7-6-17(12-19(18)22)49(39,40)41)31-30-15-2-4-16(5-3-15)48(36,37)38/h2-13,32H,1H3,(H,29,34)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)/p-2/b31-30?,33-27-