4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)-3-oxidanyl-prop-1-ynyl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)-3-oxidanyl-prop-1-ynyl]-2-oxidanyl-benzoic acid Openeye Name: 4-[3-(4,4-dimethylthiochroman-7-yl)-3-hydroxy-prop-1-ynyl]-2-hydroxy-benzoic acid CAS Name: 4-[3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-7-yl)-3-hydroxyprop-1-ynyl]-2-hydroxybenzoic acid IUPAC Name: 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)-3-hydroxyprop-1-ynyl]-2-hydroxybenzoic acid Traditional Name: 4-[3-(4,4-dimethylthiochroman-7-yl)-3-hydroxy-prop-1-ynyl]-2-hydroxy-benzoic acid Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=CC(=C2)C(C#CC3=CC(=C(C=C3)C(=O)O)O)O)C

Isomeric SMILES

CC1(CCSC2=C1C=CC(=C2)C(C#CC3=CC(=C(C=C3)C(=O)O)O)O)C

InChI

InChI=1S/C21H20O4S/c1-21(2)9-10-26-19-12-14(5-7-16(19)21)17(22)8-4-13-3-6-15(20(24)25)18(23)11-13/h3,5-7,11-12,17,22-23H,9-10H2,1-2H3,(H,24,25)