1,1-bis(oxidanylidene)-5-(phenylmethyl)-1-benzothiophene-3-carboxylic acid

Systemtic Name: 1,1-bis(oxidanylidene)-5-(phenylmethyl)-1-benzothiophene-3-carboxylic acid Openeye Name: 5-benzyl-1,1-dioxo-benzothiophene-3-carboxylic acid CAS Name: 1,1-dioxo-5-(phenylmethyl)-1-benzothiophene-3-carboxylic acid IUPAC Name: 5-benzyl-1,1-dioxo-1-benzothiophene-3-carboxylic acid Traditional Name: 5-benzyl-1,1-diketo-benzothiophene-3-carboxylic acid Formula: C16H12O4S MolecularWeight: 300.32908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC3=C(C=C2)S(=O)(=O)C=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC3=C(C=C2)S(=O)(=O)C=C3C(=O)O

InChI

InChI=1S/C16H12O4S/c17-16(18)14-10-21(19,20)15-7-6-12(9-13(14)15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,17,18)