tetrasodium (6E)-4-acetamido-5-oxidanylidene-6-[[7-sulfo-4-[(4-sulfophenyl)diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-1,7-disulfonate

Systemtic Name: tetrasodium (6E)-4-acetamido-5-oxidanylidene-6-[[7-sulfo-4-[(4-sulfophenyl)diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-1,7-disulfonate Openeye Name: tetrasodium (6E)-4-acetamido-5-oxo-6-[[7-sulfo-4-(4-sulfophenyl)azo-1-naphthyl]hydrazono]naphthalene-1,7-disulfonate CAS Name: tetrasodium (6E)-4-acetamido-5-oxo-6-[[7-sulfo-4-(4-sulfophenyl)azo-1-naphthalenyl]hydrazinylidene]naphthalene-1,7-disulfonate IUPAC Name: tetrasodium (6E)-4-acetamido-5-oxo-6-[[7-sulfo-4-[(4-sulfophenyl)diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-1,7-disulfonate Traditional Name: tetrasodium (6E)-4-acetamido-5-keto-6-[[7-sulfo-4-(4-sulfophenyl)azo-1-naphthyl]hydrazono]naphthalene-1,7-disulfonate Formula: C28H19N5Na4O14S4+2 MolecularWeight: 869.69464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=C(C(=NNC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=C(/C(=N/NC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)/C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C28H21N5O14S4.4Na/c1-14(34)29-23-10-11-24(50(42,43)44)20-13-25(51(45,46)47)27(28(35)26(20)23)33-32-22-9-8-21(18-7-6-17(12-19(18)22)49(39,40)41)31-30-15-2-4-16(5-3-15)48(36,37)38;;;;/h2-13,32H,1H3,(H,29,34)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;/q;4*+1/p-2/b31-30?,33-27-;;;;