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

Systemtic Name: (E)-6-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]non-2-enoic acid Openeye Name: (E)-6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]non-2-enoic acid CAS Name: (E)-6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]-2-nonenoic acid IUPAC Name: (E)-6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]non-2-enoic acid Traditional Name: (E)-6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]non-2-enoic acid Formula: C25H30O4S MolecularWeight: 426.5683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30O4S/c1-3-6-17(7-4-5-8-23(28)29)24-21-14-13-20(27)15-22(21)30-16-25(24,2)18-9-11-19(26)12-10-18/h5,8-15,17,24,26-27H,3-4,6-7,16H2,1-2H3,(H,28,29)/b8-5+