2-[1-(3-methylphenyl)ethoxy]-4-[2-(4-methylphenyl)sulfonylethoxy]benzoic acid

Systemtic Name: 2-[1-(3-methylphenyl)ethoxy]-4-[2-(4-methylphenyl)sulfonylethoxy]benzoic acid Openeye Name: 2-[1-(m-tolyl)ethoxy]-4-[2-(p-tolylsulfonyl)ethoxy]benzoic acid CAS Name: 2-[1-(3-methylphenyl)ethoxy]-4-[2-(4-methylphenyl)sulfonylethoxy]benzoic acid IUPAC Name: 2-[1-(3-methylphenyl)ethoxy]-4-[2-(4-methylphenyl)sulfonylethoxy]benzoic acid Traditional Name: 2-[1-(m-tolyl)ethoxy]-4-(2-tosylethoxy)benzoic acid Formula: C25H26O6S MolecularWeight: 454.53534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCOC2=CC(=C(C=C2)C(=O)O)OC(C)C3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCOC2=CC(=C(C=C2)C(=O)O)OC(C)C3=CC=CC(=C3)C

InChI

InChI=1S/C25H26O6S/c1-17-7-10-22(11-8-17)32(28,29)14-13-30-21-9-12-23(25(26)27)24(16-21)31-19(3)20-6-4-5-18(2)15-20/h4-12,15-16,19H,13-14H2,1-3H3,(H,26,27)