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

Systemtic Name: 9-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]nonanoic acid Openeye Name: 9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]nonanoic acid CAS Name: 9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]nonanoic acid IUPAC Name: 9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]nonanoic acid Traditional Name: 9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]pelargonic acid Formula: C25H32O4S MolecularWeight: 428.58418

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCCCCC(=O)O)C=CC(=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CC1(CSC2=C(C1CCCCCCCCC(=O)O)C=CC(=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C25H32O4S/c1-25(18-10-12-19(26)13-11-18)17-30-23-16-20(27)14-15-21(23)22(25)8-6-4-2-3-5-7-9-24(28)29/h10-16,22,26-27H,2-9,17H2,1H3,(H,28,29)