7-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]heptanoic acid

Systemtic Name: 7-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]heptanoic acid Openeye Name: 7-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]heptanoic acid CAS Name: 7-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]heptanoic acid IUPAC Name: 7-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]heptanoic acid Traditional Name: 7-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]enanthic acid Formula: C23H28O4S MolecularWeight: 400.53102

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCCC(=O)O)C=CC(=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CC1(CSC2=C(C1CCCCCCC(=O)O)C=CC(=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C23H28O4S/c1-23(16-8-10-17(24)11-9-16)15-28-21-14-18(25)12-13-19(21)20(23)6-4-2-3-5-7-22(26)27/h8-14,20,24-25H,2-7,15H2,1H3,(H,26,27)