6-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]hexanoic acid

Systemtic Name: 6-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]hexanoic acid Openeye Name: 6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]hexanoic acid CAS Name: 6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]hexanoic acid IUPAC Name: 6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]hexanoic acid Traditional Name: 6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]hexanoic acid Formula: C22H26O4S MolecularWeight: 386.50444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCC(=O)O)C=CC(=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CC1(CSC2=C(C1CCCCCC(=O)O)C=CC(=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C22H26O4S/c1-22(15-7-9-16(23)10-8-15)14-27-20-13-17(24)11-12-18(20)19(22)5-3-2-4-6-21(25)26/h7-13,19,23-24H,2-6,14H2,1H3,(H,25,26)