4-[[(3Z)-5-(hydroxymethyl)-3-[[4-[(4-nitro-2-sulfo-phenyl)amino]phenyl]hydrazinylidene]-6-oxidanyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]diazenyl]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[[(3Z)-5-(hydroxymethyl)-3-[[4-[(4-nitro-2-sulfo-phenyl)amino]phenyl]hydrazinylidene]-6-oxidanyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]diazenyl]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-hydroxy-5-[(3Z)-6-hydroxy-5-(hydroxymethyl)-3-[[4-(4-nitro-2-sulfo-anilino)phenyl]hydrazono]-4-oxo-cyclohexa-1,5-dien-1-yl]azo-naphthalene-2,7-disulfonic acid CAS Name: 4-hydroxy-5-[[(3Z)-6-hydroxy-5-(hydroxymethyl)-3-[[4-(4-nitro-2-sulfoanilino)phenyl]hydrazinylidene]-4-oxo-1-cyclohexa-1,5-dienyl]azo]naphthalene-2,7-disulfonic acid IUPAC Name: 4-hydroxy-5-[[(3Z)-6-hydroxy-5-(hydroxymethyl)-3-[[4-(4-nitro-2-sulfoanilino)phenyl]hydrazinylidene]-4-oxocyclohexa-1,5-dien-1-yl]diazenyl]naphthalene-2,7-disulfonic acid Traditional Name: 4-hydroxy-5-[(3Z)-6-hydroxy-4-keto-5-methylol-3-[[4-(4-nitro-2-sulfo-anilino)phenyl]hydrazono]cyclohexa-1,5-dien-1-yl]azo-naphthalene-2,7-disulfonic acid Formula: C29H22N6O15S3 MolecularWeight: 790.71118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)NN=C3C=C(C(=C(C3=O)CO)O)N=NC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C=C5O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)N/N=C\3/C=C(C(=C(C3=O)CO)O)N=NC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C=C5O)S(=O)(=O)O

InChI

InChI=1S/C29H22N6O15S3/c36-13-20-28(38)23(33-31-16-3-1-15(2-4-16)30-21-6-5-17(35(40)41)9-26(21)53(48,49)50)12-24(29(20)39)34-32-22-10-18(51(42,43)44)7-14-8-19(52(45,46)47)11-25(37)27(14)22/h1-12,30-31,36-37,39H,13H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)/b33-23-,34-32?