10-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]decanoic acid

Systemtic Name: 10-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]decanoic acid Openeye Name: 10-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]decanoic acid CAS Name: 10-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]decanoic acid IUPAC Name: 10-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]decanoic acid Traditional Name: 10-[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:

CC1(CSC2=C(C1CCCCCCCCCC(=O)O)C=CC(=C2)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1(CSC2=C(C1CCCCCCCCCC(=O)O)C=CC(=C2)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C28H38O4S/c1-28(21-13-15-22(31-2)16-14-21)20-33-26-19-23(32-3)17-18-24(26)25(28)11-9-7-5-4-6-8-10-12-27(29)30/h13-19,25H,4-12,20H2,1-3H3,(H,29,30)