(6E)-4-acetamido-5-oxidanylidene-6-[[4-[4-oxidanyl-3-(4-oxidanylbutylcarbamoyl)naphthalen-1-yl]oxyphenyl]hydrazinylidene]-7-sulfo-naphthalene-2-sulfonate

Systemtic Name: (6E)-4-acetamido-5-oxidanylidene-6-[[4-[4-oxidanyl-3-(4-oxidanylbutylcarbamoyl)naphthalen-1-yl]oxyphenyl]hydrazinylidene]-7-sulfo-naphthalene-2-sulfonate Openeye Name: (6E)-4-acetamido-6-[[4-[[4-hydroxy-3-(4-hydroxybutylcarbamoyl)-1-naphthyl]oxy]phenyl]hydrazono]-5-oxo-7-sulfo-naphthalene-2-sulfonate CAS Name: (6E)-4-acetamido-6-[[4-[[4-hydroxy-3-[(4-hydroxybutylamino)-oxomethyl]-1-naphthalenyl]oxy]phenyl]hydrazinylidene]-5-oxo-7-sulfo-2-naphthalenesulfonate IUPAC Name: (6E)-4-acetamido-6-[[4-[4-hydroxy-3-(4-hydroxybutylcarbamoyl)naphthalen-1-yl]oxyphenyl]hydrazinylidene]-5-oxo-7-sulfonaphthalene-2-sulfonate Traditional Name: (6E)-4-acetamido-6-[[4-[4-hydroxy-3-(4-hydroxybutylcarbamoyl)-1-naphthoxy]phenyl]hydrazono]-5-keto-7-sulfo-naphthalene-2-sulfonate Formula: C33H29N4O12S2- MolecularWeight: 737.73296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=NNC3=CC=C(C=C3)OC4=CC(=C(C5=CC=CC=C54)O)C(=O)NCCCCO)C2=O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(/C(=N/NC3=CC=C(C=C3)OC4=CC(=C(C5=CC=CC=C54)O)C(=O)NCCCCO)/C2=O)S(=O)(=O)O

InChI

InChI=1S/C33H30N4O12S2/c1-18(39)35-26-16-22(50(43,44)45)14-19-15-28(51(46,47)48)30(32(41)29(19)26)37-36-20-8-10-21(11-9-20)49-27-17-25(33(42)34-12-4-5-13-38)31(40)24-7-3-2-6-23(24)27/h2-3,6-11,14-17,36,38,40H,4-5,12-13H2,1H3,(H,34,42)(H,35,39)(H,43,44,45)(H,46,47,48)/p-1/b37-30-