4-[2-(4-oxidanyl-1-benzothiophen-3-yl)ethyl]benzoic acid

Systemtic Name: 4-[2-(4-oxidanyl-1-benzothiophen-3-yl)ethyl]benzoic acid Openeye Name: 4-[2-(4-hydroxybenzothiophen-3-yl)ethyl]benzoic acid CAS Name: 4-[2-(4-hydroxy-1-benzothiophen-3-yl)ethyl]benzoic acid IUPAC Name: 4-[2-(4-hydroxy-1-benzothiophen-3-yl)ethyl]benzoic acid Traditional Name: 4-[2-(4-hydroxybenzothiophen-3-yl)ethyl]benzoic acid Formula: C17H14O3S MolecularWeight: 298.35626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC=C2CCC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

C1=CC(=C2C(=C1)SC=C2CCC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C17H14O3S/c18-14-2-1-3-15-16(14)13(10-21-15)9-6-11-4-7-12(8-5-11)17(19)20/h1-5,7-8,10,18H,6,9H2,(H,19,20)