3,3-dimethyl-2,4-dihydro-1,5-benzodithiepine-7-carboxylic acid

Systemtic Name: 3,3-dimethyl-2,4-dihydro-1,5-benzodithiepine-7-carboxylic acid Openeye Name: 3,3-dimethyl-2,4-dihydro-1,5-benzodithiepine-7-carboxylic acid CAS Name: 3,3-dimethyl-2,4-dihydro-1,5-benzodithiepin-7-carboxylic acid IUPAC Name: 3,3-dimethyl-2,4-dihydro-1,5-benzodithiepine-7-carboxylic acid Traditional Name: 3,3-dimethyl-2,4-dihydro-1,5-benzodithiepin-7-carboxylic acid Formula: C12H14O2S2 MolecularWeight: 254.36836

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C=C(C=C2)C(=O)O)SC1)C

Isomeric SMILES

CC1(CSC2=C(C=C(C=C2)C(=O)O)SC1)C

InChI

InChI=1S/C12H14O2S2/c1-12(2)6-15-9-4-3-8(11(13)14)5-10(9)16-7-12/h3-5H,6-7H2,1-2H3,(H,13,14)