2-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 2-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 2-[2-(4,4-dimethylthiochroman-6-yl)-2-oxo-ethoxy]benzoic acid CAS Name: 2-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-2-oxoethoxy]benzoic acid IUPAC Name: 2-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-2-oxoethoxy]benzoic acid Traditional Name: 2-[2-(4,4-dimethylthiochroman-6-yl)-2-keto-ethoxy]benzoic acid Formula: C20H20O4S MolecularWeight: 356.4354

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C(=O)COC3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C(=O)COC3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C20H20O4S/c1-20(2)9-10-25-18-8-7-13(11-15(18)20)16(21)12-24-17-6-4-3-5-14(17)19(22)23/h3-8,11H,9-10,12H2,1-2H3,(H,22,23)