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

Systemtic Name: propan-2-yl 2-[(S)-(4-methylphenyl)sulfinyl]-2-[(1R)-1-oxidanylprop-2-ynyl]hexadecanoate Openeye Name: isopropyl 2-[(1R)-1-hydroxyprop-2-ynyl]-2-[(S)-p-tolylsulfinyl]hexadecanoate CAS Name: 2-[(1R)-1-hydroxyprop-2-ynyl]-2-[(S)-(4-methylphenyl)sulfinyl]hexadecanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(1R)-1-hydroxyprop-2-ynyl]-2-[(S)-(4-methylphenyl)sulfinyl]hexadecanoate Traditional Name: (3R)-3-hydroxy-2-myristyl-2-[(S)-p-tolylsulfinyl]pent-4-ynoic acid isopropyl ester Formula: C29H46O4S MolecularWeight: 490.73814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C#C)O)(C(=O)OC(C)C)S(=O)C1=CC=C(C=C1)C

Isomeric SMILES

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

InChI

InChI=1S/C29H46O4S/c1-6-8-9-10-11-12-13-14-15-16-17-18-23-29(27(30)7-2,28(31)33-24(3)4)34(32)26-21-19-25(5)20-22-26/h2,19-22,24,27,30H,6,8-18,23H2,1,3-5H3/t27-,29?,34+/m1/s1