5-(phenylmethyl)-1-benzothiophene-3-carboxylic acid

Systemtic Name: 5-(phenylmethyl)-1-benzothiophene-3-carboxylic acid Openeye Name: 5-benzylbenzothiophene-3-carboxylic acid CAS Name: 5-(phenylmethyl)-1-benzothiophene-3-carboxylic acid IUPAC Name: 5-benzyl-1-benzothiophene-3-carboxylic acid Traditional Name: 5-benzylbenzothiophene-3-carboxylic acid Formula: C16H12O2S MolecularWeight: 268.33028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12O2S/c17-16(18)14-10-19-15-7-6-12(9-13(14)15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,17,18)