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

Systemtic Name: methyl 6-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]nonanoate Openeye Name: methyl 6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]nonanoate CAS Name: 6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]nonanoic acid methyl ester IUPAC Name: methyl 6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]nonanoate Traditional Name: 6-[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:

CCCC(CCCCC(=O)OC)C1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O

Isomeric SMILES

CCCC(CCCCC(=O)OC)C1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O

InChI

InChI=1S/C26H34O4S/c1-4-7-18(8-5-6-9-24(29)30-3)25-22-15-14-21(28)16-23(22)31-17-26(25,2)19-10-12-20(27)13-11-19/h10-16,18,25,27-28H,4-9,17H2,1-3H3