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

Systemtic Name: 2-hexyl-11-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]undecanoic acid Openeye Name: 2-hexyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]undecanoic acid CAS Name: 2-hexyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]undecanoic acid IUPAC Name: 2-hexyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]undecanoic acid Traditional Name: 2-hexyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]undecanoic acid Formula: C33H48O4S MolecularWeight: 540.79682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H48O4S/c1-3-4-5-11-14-25(32(36)37)15-12-9-7-6-8-10-13-16-30-29-22-21-28(35)23-31(29)38-24-33(30,2)26-17-19-27(34)20-18-26/h17-23,25,30,34-35H,3-16,24H2,1-2H3,(H,36,37)