4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-3-oxidanylidene-prop-1-ynyl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-3-oxidanylidene-prop-1-ynyl]-2-oxidanyl-benzoic acid Openeye Name: 4-[3-(4,4-dimethylthiochroman-6-yl)-3-oxo-prop-1-ynyl]-2-hydroxy-benzoic acid CAS Name: 4-[3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-3-oxoprop-1-ynyl]-2-hydroxybenzoic acid IUPAC Name: 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-3-oxoprop-1-ynyl]-2-hydroxybenzoic acid Traditional Name: 4-[3-(4,4-dimethylthiochroman-6-yl)-3-keto-prop-1-ynyl]-2-hydroxy-benzoic acid Formula: C21H18O4S MolecularWeight: 366.43022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18O4S/c1-21(2)9-10-26-19-8-5-14(12-16(19)21)17(22)7-4-13-3-6-15(20(24)25)18(23)11-13/h3,5-6,8,11-12,23H,9-10H2,1-2H3,(H,24,25)