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

Systemtic Name: dipotassium (2Z)-3-oxidanylidene-2-[(4-sulfonatophenyl)methylidene]-1-benzothiophene-6-sulfonate Openeye Name: dipotassium (2Z)-3-oxo-2-[(4-sulfonatophenyl)methylene]benzothiophene-6-sulfonate CAS Name: dipotassium (2Z)-3-oxo-2-[(4-sulfonatophenyl)methylidene]-1-benzothiophene-6-sulfonate IUPAC Name: dipotassium (2Z)-3-oxo-2-[(4-sulfonatophenyl)methylidene]-1-benzothiophene-6-sulfonate Traditional Name: dipotassium (2Z)-3-keto-2-(4-sulfonatobenzylidene)benzothiophene-6-sulfonate Formula: C15H8K2O7S3 MolecularWeight: 474.61142

Click to see the large picture

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-].[K+].[K+]

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-].[K+].[K+]

InChI

InChI=1S/C15H10O7S3.2K/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;2*+1/p-2/b14-7-;;