(E,3S,10S)-3,7-dimethyl-12-(phenylsulfinyl)-10-propan-2-yl-dodec-6-ene-1,11-diol

Systemtic Name: (E,3S,10S)-3,7-dimethyl-12-(phenylsulfinyl)-10-propan-2-yl-dodec-6-ene-1,11-diol Openeye Name: (E,3S,10S)-12-(benzenesulfinyl)-10-isopropyl-3,7-dimethyl-dodec-6-ene-1,11-diol CAS Name: (E,3S,10S)-12-(benzenesulfinyl)-3,7-dimethyl-10-propan-2-yl-6-dodecene-1,11-diol IUPAC Name: (E,3S,10S)-12-(benzenesulfinyl)-3,7-dimethyl-10-propan-2-yldodec-6-ene-1,11-diol Traditional Name: (E,3S,10S)-12-(benzenesulfinyl)-10-isopropyl-3,7-dimethyl-dodec-6-ene-1,11-diol Formula: C23H38O3S MolecularWeight: 394.61102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(=CCCC(C)CCO)C)C(CS(=O)C1=CC=CC=C1)O

Isomeric SMILES

C[C@@H](CC/C=C(\C)/CC[C@@H](C(C)C)C(CS(=O)C1=CC=CC=C1)O)CCO

InChI

InChI=1S/C23H38O3S/c1-18(2)22(14-13-19(3)9-8-10-20(4)15-16-24)23(25)17-27(26)21-11-6-5-7-12-21/h5-7,9,11-12,18,20,22-25H,8,10,13-17H2,1-4H3/b19-9+/t20-,22-,23?,27?/m0/s1