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

Systemtic Name: (E)-6-[3-(4-methoxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]non-3-enoic acid Openeye Name: (E)-6-[7-hydroxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]non-3-enoic acid CAS Name: (E)-6-[7-hydroxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]-3-nonenoic acid IUPAC Name: (E)-6-[7-hydroxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]non-3-enoic acid Traditional Name: (E)-6-[7-hydroxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]non-3-enoic acid Formula: C26H32O4S MolecularWeight: 440.59488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32O4S/c1-4-7-18(8-5-6-9-24(28)29)25-22-15-12-20(27)16-23(22)31-17-26(25,2)19-10-13-21(30-3)14-11-19/h5-6,10-16,18,25,27H,4,7-9,17H2,1-3H3,(H,28,29)/b6-5+