2-(2-methylphenyl)sulfinyl-5-(oxan-2-yloxy)-3-oxidanyl-5-(4-phenoxyphenyl)pentanoate

Systemtic Name: 2-(2-methylphenyl)sulfinyl-5-(oxan-2-yloxy)-3-oxidanyl-5-(4-phenoxyphenyl)pentanoate Openeye Name: 3-hydroxy-2-(o-tolylsulfinyl)-5-(4-phenoxyphenyl)-5-tetrahydropyran-2-yloxy-pentanoate CAS Name: 3-hydroxy-2-(2-methylphenyl)sulfinyl-5-(2-oxanyloxy)-5-(4-phenoxyphenyl)pentanoate IUPAC Name: 3-hydroxy-2-(2-methylphenyl)sulfinyl-5-(oxan-2-yloxy)-5-(4-phenoxyphenyl)pentanoate Traditional Name: 3-hydroxy-2-(o-tolylsulfinyl)-5-(4-phenoxyphenyl)-5-tetrahydropyran-2-yloxy-valerate Formula: C29H31O7S- MolecularWeight: 523.61724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)C(C(CC(C2=CC=C(C=C2)OC3=CC=CC=C3)OC4CCCCO4)O)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1S(=O)C(C(CC(C2=CC=C(C=C2)OC3=CC=CC=C3)OC4CCCCO4)O)C(=O)[O-]

InChI

InChI=1S/C29H32O7S/c1-20-9-5-6-12-26(20)37(33)28(29(31)32)24(30)19-25(36-27-13-7-8-18-34-27)21-14-16-23(17-15-21)35-22-10-3-2-4-11-22/h2-6,9-12,14-17,24-25,27-28,30H,7-8,13,18-19H2,1H3,(H,31,32)/p-1