8-(3-methoxythiophen-2-yl)-2-(4-methylphenyl)sulfonyl-octanoic acid

Systemtic Name: 8-(3-methoxythiophen-2-yl)-2-(4-methylphenyl)sulfonyl-octanoic acid Openeye Name: 8-(3-methoxy-2-thienyl)-2-(p-tolylsulfonyl)octanoic acid CAS Name: 8-(3-methoxy-2-thiophenyl)-2-(4-methylphenyl)sulfonyloctanoic acid IUPAC Name: 8-(3-methoxythiophen-2-yl)-2-(4-methylphenyl)sulfonyloctanoic acid Traditional Name: 8-(3-methoxy-2-thienyl)-2-tosyl-caprylic acid Formula: C20H26O5S2 MolecularWeight: 410.54744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=C(C=CS2)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=C(C=CS2)OC)C(=O)O

InChI

InChI=1S/C20H26O5S2/c1-15-9-11-16(12-10-15)27(23,24)19(20(21)22)8-6-4-3-5-7-18-17(25-2)13-14-26-18/h9-14,19H,3-8H2,1-2H3,(H,21,22)