2-butyl-12-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]dodecanoic acid

Systemtic Name: 2-butyl-12-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]dodecanoic acid Openeye Name: 2-butyl-12-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]dodecanoic acid CAS Name: 2-butyl-12-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]dodecanoic acid IUPAC Name: 2-butyl-12-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]dodecanoic acid Traditional Name: 2-butyl-12-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]lauric acid Formula: C32H46O4S MolecularWeight: 526.77024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCCCCCCCC1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

CCCCC(CCCCCCCCCCC1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C32H46O4S/c1-3-4-13-24(31(35)36)14-11-9-7-5-6-8-10-12-15-29-28-21-20-27(34)22-30(28)37-23-32(29,2)25-16-18-26(33)19-17-25/h16-22,24,29,33-34H,3-15,23H2,1-2H3,(H,35,36)