methyl 8-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]octanoate

Systemtic Name: methyl 8-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]octanoate Openeye Name: methyl 8-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]octanoate CAS Name: 8-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]octanoic acid methyl ester IUPAC Name: methyl 8-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]octanoate Traditional Name: 8-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]caprylic acid methyl ester Formula: C25H32O4S MolecularWeight: 428.58418

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCCCC(=O)OC)C=CC(=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CC1(CSC2=C(C1CCCCCCCC(=O)OC)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)8-6-4-3-5-7-9-24(28)29-2/h10-16,22,26-27H,3-9,17H2,1-2H3