2-ethyl-2-hexyl-11-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]undecanoic acid

Systemtic Name: 2-ethyl-2-hexyl-11-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]undecanoic acid Openeye Name: 2-ethyl-2-hexyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]undecanoic acid CAS Name: 2-ethyl-2-hexyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]undecanoic acid IUPAC Name: 2-ethyl-2-hexyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]undecanoic acid Traditional Name: 2-ethyl-2-hexyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]undecanoic acid Formula: C35H52O4S MolecularWeight: 568.84998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC)(CCCCCCCCCC1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

CCCCCCC(CC)(CCCCCCCCCC1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C35H52O4S/c1-4-6-7-14-23-35(5-2,33(38)39)24-15-12-10-8-9-11-13-16-31-30-22-21-29(37)25-32(30)40-26-34(31,3)27-17-19-28(36)20-18-27/h17-22,25,31,36-37H,4-16,23-24,26H2,1-3H3,(H,38,39)