trisodium (6Z)-4-benzamido-5-oxidanylidene-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-1,7-disulfonate

Systemtic Name: trisodium (6Z)-4-benzamido-5-oxidanylidene-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-1,7-disulfonate Openeye Name: trisodium (6Z)-4-benzamido-5-oxo-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazono]naphthalene-1,7-disulfonate CAS Name: trisodium (6Z)-4-benzamido-5-oxo-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-1,7-disulfonate IUPAC Name: trisodium (6Z)-4-benzamido-5-oxo-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-1,7-disulfonate Traditional Name: trisodium (6Z)-4-benzamido-5-keto-6-[[4-(2-sulfatoethylsulfonyl)phenyl]hydrazono]naphthalene-1,7-disulfonate Formula: C25H18N3Na3O14S4 MolecularWeight: 781.65143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)S(=O)(=O)[O-])C=C(/C(=N\NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])/C3=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C25H21N3O14S4.3Na/c29-24-22-18(20(44(33,34)35)11-10-19(22)26-25(30)15-4-2-1-3-5-15)14-21(45(36,37)38)23(24)28-27-16-6-8-17(9-7-16)43(31,32)13-12-42-46(39,40)41;;;/h1-11,14,27H,12-13H2,(H,26,30)(H,33,34,35)(H,36,37,38)(H,39,40,41);;;/q;3*+1/p-3/b28-23+;;;