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

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

CC1(CSC2=C(C1CCCCCC=CCCC(=O)O)C=CC(=C2)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1(CSC2=C(C1CCCCC/C=C/CCC(=O)O)C=CC(=C2)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C28H36O4S/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/h6,8,13-19,25H,4-5,7,9-12,20H2,1-3H3,(H,29,30)/b8-6+