6-azanylidene-3-[bis(4-azanyl-3-methyl-5-sulfo-phenyl)methylidene]-5-methyl-cyclohexa-1,4-diene-1-sulfonic acid

Systemtic Name: 6-azanylidene-3-[bis(4-azanyl-3-methyl-5-sulfo-phenyl)methylidene]-5-methyl-cyclohexa-1,4-diene-1-sulfonic acid Openeye Name: 3-[bis(4-amino-3-methyl-5-sulfo-phenyl)methylene]-6-imino-5-methyl-cyclohexa-1,4-diene-1-sulfonic acid CAS Name: 3-[bis(4-amino-3-methyl-5-sulfophenyl)methylidene]-6-imino-5-methyl-1-cyclohexa-1,4-dienesulfonic acid IUPAC Name: 3-[bis(4-amino-3-methyl-5-sulfophenyl)methylidene]-6-imino-5-methylcyclohexa-1,4-diene-1-sulfonic acid Traditional Name: 3-[bis(4-amino-3-methyl-5-sulfo-phenyl)methylene]-6-imino-5-methyl-cyclohexa-1,4-diene-1-sulfonic acid Formula: C22H23N3O9S3 MolecularWeight: 569.62772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=CC(=C(C(=C2)S(=O)(=O)O)N)C)C3=CC(=C(C(=C3)S(=O)(=O)O)N)C)C=C(C1=N)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C2=CC(=C(C(=C2)S(=O)(=O)O)N)C)C3=CC(=C(C(=C3)S(=O)(=O)O)N)C)C=C(C1=N)S(=O)(=O)O

InChI

InChI=1S/C22H23N3O9S3/c1-10-4-13(7-16(20(10)23)35(26,27)28)19(14-5-11(2)21(24)17(8-14)36(29,30)31)15-6-12(3)22(25)18(9-15)37(32,33)34/h4-9,23H,24-25H2,1-3H3,(H,26,27,28)(H,29,30,31)(H,32,33,34)