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

Systemtic Name: (E)-6-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]dec-4-enoic acid Openeye Name: (E)-6-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]dec-4-enoic acid CAS Name: (E)-6-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]-4-decenoic acid IUPAC Name: (E)-6-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]dec-4-enoic acid Traditional Name: (E)-6-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]dec-4-enoic acid Formula: C28H36O4S MolecularWeight: 468.64804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36O4S/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/h7,10,12-18,20,27H,5-6,8-9,11,19H2,1-4H3,(H,29,30)/b10-7+