trisodium 2-[(2E)-2-(8-benzamido-6-methyl-1-oxidanylidene-3-sulfonato-naphthalen-2-ylidene)hydrazinyl]naphthalene-1,5-disulfonate

Systemtic Name: trisodium 2-[(2E)-2-(8-benzamido-6-methyl-1-oxidanylidene-3-sulfonato-naphthalen-2-ylidene)hydrazinyl]naphthalene-1,5-disulfonate Openeye Name: trisodium 2-[(2E)-2-(8-benzamido-6-methyl-1-oxo-3-sulfonato-2-naphthylidene)hydrazino]naphthalene-1,5-disulfonate CAS Name: trisodium 2-[(2E)-2-(8-benzamido-6-methyl-1-oxo-3-sulfonato-2-naphthalenylidene)hydrazinyl]naphthalene-1,5-disulfonate IUPAC Name: trisodium 2-[(2E)-2-(8-benzamido-6-methyl-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]naphthalene-1,5-disulfonate Traditional Name: trisodium 2-[(N'E)-N'-(8-benzamido-1-keto-6-methyl-3-sulfonato-2-naphthylidene)hydrazino]naphthalene-1,5-disulfonate Formula: C28H18N3Na3O11S3 MolecularWeight: 737.62033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=NNC3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C2=O)S(=O)(=O)[O-])NC(=O)C5=CC=CC=C5.[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(/C(=N/NC3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])/C2=O)S(=O)(=O)[O-])NC(=O)C5=CC=CC=C5.[Na+].[Na+].[Na+]

InChI

InChI=1S/C28H21N3O11S3.3Na/c1-15-12-17-14-23(44(37,38)39)25(26(32)24(17)21(13-15)29-28(33)16-6-3-2-4-7-16)31-30-20-11-10-18-19(27(20)45(40,41)42)8-5-9-22(18)43(34,35)36;;;/h2-14,30H,1H3,(H,29,33)(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3/b31-25-;;;