2-butyl-9-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]nonanoic acid

Systemtic Name: 2-butyl-9-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]nonanoic acid Openeye Name: 2-butyl-9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]nonanoic acid CAS Name: 2-butyl-9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]nonanoic acid IUPAC Name: 2-butyl-9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]nonanoic acid Traditional Name: 2-butyl-9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]pelargonic acid Formula: C29H40O4S MolecularWeight: 484.6905

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCCCCC1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

CCCCC(CCCCCCCC1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C29H40O4S/c1-3-4-10-21(28(32)33)11-8-6-5-7-9-12-26-25-18-17-24(31)19-27(25)34-20-29(26,2)22-13-15-23(30)16-14-22/h13-19,21,26,30-31H,3-12,20H2,1-2H3,(H,32,33)