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

Systemtic Name: sodium 6-azanylidene-3-[bis(4-azanyl-3-sulfo-phenyl)methylidene]-5-methyl-cyclohexa-1,4-diene-1-sulfonic acid Openeye Name: sodium 3-[bis(4-amino-3-sulfo-phenyl)methylene]-6-imino-5-methyl-cyclohexa-1,4-diene-1-sulfonic acid CAS Name: sodium 3-[bis(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methyl-1-cyclohexa-1,4-dienesulfonic acid IUPAC Name: sodium 3-[bis(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methylcyclohexa-1,4-diene-1-sulfonic acid Traditional Name: sodium 3-[bis(4-amino-3-sulfo-phenyl)methylene]-6-imino-5-methyl-cyclohexa-1,4-diene-1-sulfonic acid Formula: C20H19N3NaO9S3+ MolecularWeight: 564.56433

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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=N)S(=O)(=O)O.[Na+]

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=N)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C20H19N3O9S3.Na/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);/q;+1