4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]-2-oxidanyl-benzoic acid Openeye Name: 4-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]-2-hydroxy-benzoic acid CAS Name: 4-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-hydroxybenzoic acid IUPAC Name: 4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]-2-hydroxybenzoic acid Traditional Name: 4-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]-2-hydroxy-benzoic acid Formula: C20H18O3S MolecularWeight: 338.42012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18O3S/c1-20(2)9-10-24-18-8-6-13(11-16(18)20)3-4-14-5-7-15(19(22)23)17(21)12-14/h5-8,11-12,21H,9-10H2,1-2H3,(H,22,23)