[(E,3R,4R)-3,7-dimethyl-10-(2-methyl-1,3-dioxolan-2-yl)-3-[(S)-(4-methylphenyl)sulfinyl]dec-7-en-4-yl] ethanoate

Systemtic Name: [(E,3R,4R)-3,7-dimethyl-10-(2-methyl-1,3-dioxolan-2-yl)-3-[(S)-(4-methylphenyl)sulfinyl]dec-7-en-4-yl] ethanoate Openeye Name: [(E,1R)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)-1-[(1R)-1-methyl-1-[(S)-p-tolylsulfinyl]propyl]hept-4-enyl] acetate CAS Name: acetic acid [(E,3R,4R)-3,7-dimethyl-10-(2-methyl-1,3-dioxolan-2-yl)-3-[(S)-(4-methylphenyl)sulfinyl]dec-7-en-4-yl] ester IUPAC Name: [(E,3R,4R)-3,7-dimethyl-10-(2-methyl-1,3-dioxolan-2-yl)-3-[(S)-(4-methylphenyl)sulfinyl]dec-7-en-4-yl] acetate Traditional Name: acetic acid [(E,1R)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)-1-[(1R)-1-methyl-1-[(S)-p-tolylsulfinyl]propyl]hept-4-enyl] ester Formula: C25H38O5S MolecularWeight: 450.63122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(CCC(=CCCC1(OCCO1)C)C)OC(=O)C)S(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC[C@](C)([C@@H](CC/C(=C/CCC1(OCCO1)C)/C)OC(=O)C)[S@@](=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C25H38O5S/c1-7-24(5,31(27)22-13-10-20(3)11-14-22)23(30-21(4)26)15-12-19(2)9-8-16-25(6)28-17-18-29-25/h9-11,13-14,23H,7-8,12,15-18H2,1-6H3/b19-9+/t23-,24-,31+/m1/s1