(E)-9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]non-3-enoic acid

Systemtic Name: (E)-9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]non-3-enoic acid Openeye Name: (E)-9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]non-3-enoic acid CAS Name: (E)-9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]-3-nonenoic acid IUPAC Name: (E)-9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]non-3-enoic acid Traditional Name: (E)-9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]non-3-enoic acid Formula: C27H34O4S MolecularWeight: 454.62146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34O4S/c1-27(20-12-14-21(30-2)15-13-20)19-32-25-18-22(31-3)16-17-23(25)24(27)10-8-6-4-5-7-9-11-26(28)29/h7,9,12-18,24H,4-6,8,10-11,19H2,1-3H3,(H,28,29)/b9-7+