2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3H-1,4-benzoxathiin-6-ol

Systemtic Name: 2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3H-1,4-benzoxathiin-6-ol Openeye Name: 2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3H-1,4-benzoxathiin-6-ol CAS Name: 2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3H-1,4-benzoxathiin-6-ol IUPAC Name: 2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3H-1,4-benzoxathiin-6-ol Traditional Name: 2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3H-1,4-benzoxathiin-6-ol Formula: C27H46O2S MolecularWeight: 434.71794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1O)C)SCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C

Isomeric SMILES

CC1=CC2=C(C(=C1O)C)SCC(O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

InChI

InChI=1S/C27H46O2S/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-27(7)18-30-26-23(6)25(28)22(5)17-24(26)29-27/h17,19-21,28H,8-16,18H2,1-7H3/t20-,21-,27?/m1/s1