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

Systemtic Name: 6-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]nonanoic acid Openeye Name: 6-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]nonanoic acid CAS Name: 6-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]nonanoic acid IUPAC Name: 6-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]nonanoic acid Traditional Name: 6-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]pelargonic acid Formula: C27H36O4S MolecularWeight: 456.63734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36O4S/c1-5-8-19(9-6-7-10-25(28)29)26-23-16-15-22(31-4)17-24(23)32-18-27(26,2)20-11-13-21(30-3)14-12-20/h11-17,19,26H,5-10,18H2,1-4H3,(H,28,29)