6-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]decanoic acid

Systemtic Name: 6-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]decanoic acid Openeye Name: 6-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]decanoic acid CAS Name: 6-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]decanoic acid IUPAC Name: 6-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]decanoic acid Traditional Name: 6-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]capric acid Formula: C28H38O4S MolecularWeight: 470.66392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38O4S/c1-5-6-9-20(10-7-8-11-26(29)30)27-24-17-16-23(32-4)18-25(24)33-19-28(27,2)21-12-14-22(31-3)15-13-21/h12-18,20,27H,5-11,19H2,1-4H3,(H,29,30)