6-azaniumylidene-3-[bis(4-azanyl-3-sulfonato-phenyl)methylidene]-5-methyl-cyclohexa-1,4-diene-1-sulfonate

Systemtic Name: 6-azaniumylidene-3-[bis(4-azanyl-3-sulfonato-phenyl)methylidene]-5-methyl-cyclohexa-1,4-diene-1-sulfonate Openeye Name: 6-azaniumylidene-3-[bis(4-amino-3-sulfonato-phenyl)methylene]-5-methyl-cyclohexa-1,4-diene-1-sulfonate CAS Name: 3-[bis(4-amino-3-sulfonatophenyl)methylidene]-6-iminio-5-methyl-1-cyclohexa-1,4-dienesulfonate IUPAC Name: 6-azaniumylidene-3-[bis(4-amino-3-sulfonatophenyl)methylidene]-5-methylcyclohexa-1,4-diene-1-sulfonate Traditional Name: 3-[bis(4-amino-3-sulfonato-phenyl)methylene]-6-iminio-5-methyl-cyclohexa-1,4-diene-1-sulfonate Formula: C20H17N3O9S3-2 MolecularWeight: 539.55868

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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)N)S(=O)(=O)[O-])C=C(C1=[NH2+])S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C2=CC(=C(C=C2)N)S(=O)(=O)[O-])C3=CC(=C(C=C3)N)S(=O)(=O)[O-])C=C(C1=[NH2+])S(=O)(=O)[O-]

InChI

InChI=1S/C20H19N3O9S3/c1-10-6-13(9-18(20(10)23)35(30,31)32)19(11-2-4-14(21)16(7-11)33(24,25)26)12-3-5-15(22)17(8-12)34(27,28)29/h2-9,23H,21-22H2,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32)/p-2