propan-2-yl 2-[(S)-(4-methylphenyl)sulfinyl]-2-[(1R)-1-oxidanylprop-2-ynyl]tetradec-13-enoate

Systemtic Name: propan-2-yl 2-[(S)-(4-methylphenyl)sulfinyl]-2-[(1R)-1-oxidanylprop-2-ynyl]tetradec-13-enoate Openeye Name: isopropyl 2-[(1R)-1-hydroxyprop-2-ynyl]-2-[(S)-p-tolylsulfinyl]tetradec-13-enoate CAS Name: 2-[(1R)-1-hydroxyprop-2-ynyl]-2-[(S)-(4-methylphenyl)sulfinyl]-13-tetradecenoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(1R)-1-hydroxyprop-2-ynyl]-2-[(S)-(4-methylphenyl)sulfinyl]tetradec-13-enoate Traditional Name: 2-[(1R)-1-hydroxyprop-2-ynyl]-2-[(S)-p-tolylsulfinyl]tetradec-13-enoic acid isopropyl ester Formula: C27H40O4S MolecularWeight: 460.6691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C(CCCCCCCCCCC=C)(C(C#C)O)C(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)C(CCCCCCCCCCC=C)([C@@H](C#C)O)C(=O)OC(C)C

InChI

InChI=1S/C27H40O4S/c1-6-8-9-10-11-12-13-14-15-16-21-27(25(28)7-2,26(29)31-22(3)4)32(30)24-19-17-23(5)18-20-24/h2,6,17-20,22,25,28H,1,8-16,21H2,3-5H3/t25-,27?,32+/m1/s1