sodium (2Z)-3-oxidanylidene-2-[(4-sulfonatophenyl)methylidene]-1-benzothiophene-6-sulfonate

Systemtic Name: sodium (2Z)-3-oxidanylidene-2-[(4-sulfonatophenyl)methylidene]-1-benzothiophene-6-sulfonate Openeye Name: sodium (2Z)-3-oxo-2-[(4-sulfonatophenyl)methylene]benzothiophene-6-sulfonate CAS Name: sodium (2Z)-3-oxo-2-[(4-sulfonatophenyl)methylidene]-1-benzothiophene-6-sulfonate IUPAC Name: sodium (2Z)-3-oxo-2-[(4-sulfonatophenyl)methylidene]-1-benzothiophene-6-sulfonate Traditional Name: sodium (2Z)-3-keto-2-(4-sulfonatobenzylidene)benzothiophene-6-sulfonate Formula: C15H8NaO7S3- MolecularWeight: 419.40459

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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-].[Na+]

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-].[Na+]

InChI

InChI=1S/C15H10O7S3.Na/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);/q;+1/p-2/b14-7-;