disodium (3Z)-6-azanylidene-3-[(4-azanyl-3-methyl-5-sulfonato-phenyl)-(4-azanyl-3-sulfo-phenyl)methylidene]-5-methyl-cyclohexa-1,4-diene-1-sulfonate

Systemtic Name: disodium (3Z)-6-azanylidene-3-[(4-azanyl-3-methyl-5-sulfonato-phenyl)-(4-azanyl-3-sulfo-phenyl)methylidene]-5-methyl-cyclohexa-1,4-diene-1-sulfonate Openeye Name: disodium (3Z)-3-[(4-amino-3-methyl-5-sulfonato-phenyl)-(4-amino-3-sulfo-phenyl)methylene]-6-imino-5-methyl-cyclohexa-1,4-diene-1-sulfonate CAS Name: disodium (3Z)-3-[(4-amino-3-methyl-5-sulfonatophenyl)-(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methyl-1-cyclohexa-1,4-dienesulfonate IUPAC Name: disodium (3Z)-3-[(4-amino-3-methyl-5-sulfonatophenyl)-(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methylcyclohexa-1,4-diene-1-sulfonate Traditional Name: disodium (3Z)-3-[(4-amino-3-methyl-5-sulfonato-phenyl)-(4-amino-3-sulfo-phenyl)methylene]-6-imino-5-methyl-cyclohexa-1,4-diene-1-sulfonate Formula: C21H19N3Na2O9S3 MolecularWeight: 599.5648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=CC(=C(C=C2)N)S(=O)(=O)O)C3=CC(=C(C(=C3)S(=O)(=O)[O-])N)C)C=C(C1=N)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C/C(=C(\C2=CC(=C(C=C2)N)S(=O)(=O)O)/C3=CC(=C(C(=C3)S(=O)(=O)[O-])N)C)/C=C(C1=N)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C21H21N3O9S3.2Na/c1-10-5-13(8-17(20(10)23)35(28,29)30)19(12-3-4-15(22)16(7-12)34(25,26)27)14-6-11(2)21(24)18(9-14)36(31,32)33;;/h3-9,23H,22,24H2,1-2H3,(H,25,26,27)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b19-13-,23-20?;;