2-[[5-(8-methoxy-8-oxidanylidene-octyl)thiophen-2-yl]methyl]benzoic acid

Systemtic Name: 2-[[5-(8-methoxy-8-oxidanylidene-octyl)thiophen-2-yl]methyl]benzoic acid Openeye Name: 2-[[5-(8-methoxy-8-oxo-octyl)-2-thienyl]methyl]benzoic acid CAS Name: 2-[[5-(8-methoxy-8-oxooctyl)-2-thiophenyl]methyl]benzoic acid IUPAC Name: 2-[[5-(8-methoxy-8-oxooctyl)thiophen-2-yl]methyl]benzoic acid Traditional Name: 2-[[5-(8-keto-8-methoxy-octyl)-2-thienyl]methyl]benzoic acid Formula: C21H26O4S MolecularWeight: 374.49374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCC1=CC=C(S1)CC2=CC=CC=C2C(=O)O

Isomeric SMILES

COC(=O)CCCCCCCC1=CC=C(S1)CC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C21H26O4S/c1-25-20(22)12-6-4-2-3-5-10-17-13-14-18(26-17)15-16-9-7-8-11-19(16)21(23)24/h7-9,11,13-14H,2-6,10,12,15H2,1H3,(H,23,24)