trisodium (3E)-5-benzamido-4-oxidanylidene-3-[[4-[(6-sulfonatonaphthalen-2-yl)carbamoyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: trisodium (3E)-5-benzamido-4-oxidanylidene-3-[[4-[(6-sulfonatonaphthalen-2-yl)carbamoyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: trisodium (3E)-5-benzamido-4-oxo-3-[[4-[(6-sulfonato-2-naphthyl)carbamoyl]phenyl]hydrazono]naphthalene-2,7-disulfonate CAS Name: trisodium (3E)-5-benzamido-4-oxo-3-[[4-[oxo-[(6-sulfonato-2-naphthalenyl)amino]methyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: trisodium (3E)-5-benzamido-4-oxo-3-[[4-[(6-sulfonatonaphthalen-2-yl)carbamoyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: trisodium (3E)-5-benzamido-4-keto-3-[[4-[(6-sulfonato-2-naphthyl)carbamoyl]phenyl]hydrazono]naphthalene-2,7-disulfonate Formula: C34H21N4Na3O12S3 MolecularWeight: 842.71445

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=NNC4=CC=C(C=C4)C(=O)NC5=CC6=C(C=C5)C=C(C=C6)S(=O)(=O)[O-])C3=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(/C(=N/NC4=CC=C(C=C4)C(=O)NC5=CC6=C(C=C5)C=C(C=C6)S(=O)(=O)[O-])/C3=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C34H24N4O12S3.3Na/c39-32-30-23(16-27(52(45,46)47)18-28(30)36-34(41)19-4-2-1-3-5-19)17-29(53(48,49)50)31(32)38-37-24-10-6-20(7-11-24)33(40)35-25-12-8-22-15-26(51(42,43)44)13-9-21(22)14-25;;;/h1-18,37H,(H,35,40)(H,36,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3/b38-31-;;;