disodium (3Z)-6-[2-diethylaminoethylsulfonyl(methyl)amino]-3-[(4-methoxy-2-sulfonato-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium (3Z)-6-[2-diethylaminoethylsulfonyl(methyl)amino]-3-[(4-methoxy-2-sulfonato-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (3Z)-6-[2-diethylaminoethylsulfonyl(methyl)amino]-3-[(4-methoxy-2-sulfonato-phenyl)hydrazono]-4-oxo-naphthalene-2-sulfonate CAS Name: disodium (3Z)-6-[2-diethylaminoethylsulfonyl(methyl)amino]-3-[(4-methoxy-2-sulfonatophenyl)hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: disodium (3Z)-6-[2-diethylaminoethylsulfonyl(methyl)amino]-3-[(4-methoxy-2-sulfonatophenyl)hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: disodium (3Z)-6-[2-diethylaminoethylsulfonyl(methyl)amino]-4-keto-3-[(4-methoxy-2-sulfonato-phenyl)hydrazono]naphthalene-2-sulfonate Formula: C24H28N4Na2O10S3 MolecularWeight: 674.67446

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCS(=O)(=O)N(C)C1=CC2=C(C=C1)C=C(C(=NNC3=C(C=C(C=C3)OC)S(=O)(=O)[O-])C2=O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCN(CC)CCS(=O)(=O)N(C)C1=CC2=C(C=C1)C=C(/C(=N\NC3=C(C=C(C=C3)OC)S(=O)(=O)[O-])/C2=O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C24H30N4O10S3.2Na/c1-5-28(6-2)11-12-39(30,31)27(3)17-8-7-16-13-22(41(35,36)37)23(24(29)19(16)14-17)26-25-20-10-9-18(38-4)15-21(20)40(32,33)34;;/h7-10,13-15,25H,5-6,11-12H2,1-4H3,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2/b26-23+;;