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

Systemtic Name: methyl 9-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]nonanoate Openeye Name: methyl 9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]nonanoate CAS Name: 9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]nonanoic acid methyl ester IUPAC Name: methyl 9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]nonanoate Traditional Name: 9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]pelargonic acid methyl ester Formula: C26H34O4S MolecularWeight: 442.61076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34O4S/c1-26(19-11-13-20(27)14-12-19)18-31-24-17-21(28)15-16-22(24)23(26)9-7-5-3-4-6-8-10-25(29)30-2/h11-17,23,27-28H,3-10,18H2,1-2H3