(2Z)-3-oxidanylidene-2-[(4-sulfophenyl)methylidene]-1-benzothiophene-6-sulfonic acid

Systemtic Name: (2Z)-3-oxidanylidene-2-[(4-sulfophenyl)methylidene]-1-benzothiophene-6-sulfonic acid Openeye Name: (2Z)-3-oxo-2-[(4-sulfophenyl)methylene]benzothiophene-6-sulfonic acid CAS Name: (2Z)-3-oxo-2-[(4-sulfophenyl)methylidene]-1-benzothiophene-6-sulfonic acid IUPAC Name: (2Z)-3-oxo-2-[(4-sulfophenyl)methylidene]-1-benzothiophene-6-sulfonic acid Traditional Name: (2Z)-3-keto-2-(4-sulfobenzylidene)benzothiophene-6-sulfonic acid Formula: C15H10O7S3 MolecularWeight: 398.4307

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)C3=C(S2)C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C\2/C(=O)C3=C(S2)C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H10O7S3/c16-15-12-6-5-11(25(20,21)22)8-13(12)23-14(15)7-9-1-3-10(4-2-9)24(17,18)19/h1-8H,(H,17,18,19)(H,20,21,22)/b14-7-