4-[2-(4-methoxy-1-benzothiophen-2-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(4-methoxy-1-benzothiophen-2-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(4-methoxybenzothiophen-2-yl)ethynyl]benzoic acid CAS Name: 4-[2-(4-methoxy-1-benzothiophen-2-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(4-methoxy-1-benzothiophen-2-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(4-methoxybenzothiophen-2-yl)ethynyl]benzoic acid Formula: C18H12O3S MolecularWeight: 308.35108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=C(SC2=CC=C1)C#CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=C2C=C(SC2=CC=C1)C#CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H12O3S/c1-21-16-3-2-4-17-15(16)11-14(22-17)10-7-12-5-8-13(9-6-12)18(19)20/h2-6,8-9,11H,1H3,(H,19,20)