2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)terephthalic acid

Systemtic Name: 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)terephthalic acid Openeye Name: 2-(4,4-dimethylthiochroman-6-yl)terephthalic acid CAS Name: 2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)terephthalic acid IUPAC Name: 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)terephthalic acid Traditional Name: 2-(4,4-dimethylthiochroman-6-yl)terephthalic acid Formula: C19H18O4S MolecularWeight: 342.40882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O4S/c1-19(2)7-8-24-16-6-4-11(10-15(16)19)14-9-12(17(20)21)3-5-13(14)18(22)23/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)(H,22,23)