2-(4-methylphenoxy)-7-phenoxy-heptanoic acid; 2-(4-methylphenyl)sulfonyl-6-phenoxy-hexanoic acid

Systemtic Name: 2-(4-methylphenoxy)-7-phenoxy-heptanoic acid; 2-(4-methylphenyl)sulfonyl-6-phenoxy-hexanoic acid Openeye Name: 2-(4-methylphenoxy)-7-phenoxy-heptanoic acid; 6-phenoxy-2-(p-tolylsulfonyl)hexanoic acid CAS Name: 2-(4-methylphenoxy)-7-phenoxyheptanoic acid; 2-(4-methylphenyl)sulfonyl-6-phenoxyhexanoic acid IUPAC Name: 2-(4-methylphenoxy)-7-phenoxyheptanoic acid; 2-(4-methylphenyl)sulfonyl-6-phenoxyhexanoic acid Traditional Name: 2-(4-methylphenoxy)-7-phenoxy-enanthic acid; 6-phenoxy-2-tosyl-hexanoic acid Formula: C39H46O9S MolecularWeight: 690.84214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(CCCCCOC2=CC=CC=C2)C(=O)O.CC1=CC=C(C=C1)S(=O)(=O)C(CCCCOC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OC(CCCCCOC2=CC=CC=C2)C(=O)O.CC1=CC=C(C=C1)S(=O)(=O)C(CCCCOC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H24O4.C19H22O5S/c1-16-11-13-18(14-12-16)24-19(20(21)22)10-6-3-7-15-23-17-8-4-2-5-9-17;1-15-10-12-17(13-11-15)25(22,23)18(19(20)21)9-5-6-14-24-16-7-3-2-4-8-16/h2,4-5,8-9,11-14,19H,3,6-7,10,15H2,1H3,(H,21,22);2-4,7-8,10-13,18H,5-6,9,14H2,1H3,(H,20,21)