2-(4-methylphenyl)sulfonyl-6-phenoxy-heptanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyl-6-phenoxy-heptanoic acid Openeye Name: 6-phenoxy-2-(p-tolylsulfonyl)heptanoic acid CAS Name: 2-(4-methylphenyl)sulfonyl-6-phenoxyheptanoic acid IUPAC Name: 2-(4-methylphenyl)sulfonyl-6-phenoxyheptanoic acid Traditional Name: 6-phenoxy-2-tosyl-enanthic acid Formula: C20H24O5S MolecularWeight: 376.46656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCC(C)OC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCC(C)OC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H24O5S/c1-15-11-13-18(14-12-15)26(23,24)19(20(21)22)10-6-7-16(2)25-17-8-4-3-5-9-17/h3-5,8-9,11-14,16,19H,6-7,10H2,1-2H3,(H,21,22)