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

Systemtic Name: 4-[(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-oxidanyl-methyl]benzoic acid Openeye Name: 4-[(4,4-dimethylthiochroman-6-yl)-hydroxy-methyl]benzoic acid CAS Name: 4-[(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-hydroxymethyl]benzoic acid IUPAC Name: 4-[(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-hydroxymethyl]benzoic acid Traditional Name: 4-[(4,4-dimethylthiochroman-6-yl)-hydroxy-methyl]benzoic acid Formula: C19H20O3S MolecularWeight: 328.4253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20O3S/c1-19(2)9-10-23-16-8-7-14(11-15(16)19)17(20)12-3-5-13(6-4-12)18(21)22/h3-8,11,17,20H,9-10H2,1-2H3,(H,21,22)