7-(1,3-dithian-2-yl)-2,12-dimethyl-1-[4-(2-methylpropyl)phenyl]tridecane-1,13-diol

Systemtic Name: 7-(1,3-dithian-2-yl)-2,12-dimethyl-1-[4-(2-methylpropyl)phenyl]tridecane-1,13-diol Openeye Name: 7-(1,3-dithian-2-yl)-1-(4-isobutylphenyl)-2,12-dimethyl-tridecane-1,13-diol CAS Name: 7-(1,3-dithian-2-yl)-2,12-dimethyl-1-[4-(2-methylpropyl)phenyl]tridecane-1,13-diol IUPAC Name: 7-(1,3-dithian-2-yl)-2,12-dimethyl-1-[4-(2-methylpropyl)phenyl]tridecane-1,13-diol Traditional Name: 7-(1,3-dithian-2-yl)-1-(4-isobutylphenyl)-2,12-dimethyl-tridecane-1,13-diol Formula: C29H50O2S2 MolecularWeight: 494.8361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C(C)CCCCC(CCCCC(C)CO)C2SCCCS2)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C(C)CCCCC(CCCCC(C)CO)C2SCCCS2)O

InChI

InChI=1S/C29H50O2S2/c1-22(2)20-25-14-16-26(17-15-25)28(31)24(4)11-6-8-13-27(29-32-18-9-19-33-29)12-7-5-10-23(3)21-30/h14-17,22-24,27-31H,5-13,18-21H2,1-4H3