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3,7,8-trimethyl-1,5-dihydro-2,4-benzodithiepine-3-carboxylic acid

3,7,8-trimethyl-1,5-dihydro-2,4-benzodithiepine-3-carboxylic acid

Systemtic Name:3,7,8-trimethyl-1,5-dihydro-2,4-benzodithiepine-3-carboxylic acid
Openeye Name:3,7,8-trimethyl-1,5-dihydro-2,4-benzodithiepine-3-carboxylic acid
CAS Name:3,7,8-trimethyl-1,5-dihydro-2,4-benzodithiepin-3-carboxylic acid
IUPAC Name:3,7,8-trimethyl-1,5-dihydro-2,4-benzodithiepine-3-carboxylic acid
Traditional Name:3,7,8-trimethyl-1,5-dihydro-2,4-benzodithiepin-3-carboxylic acid
Formula: C13H16O2S2
MolecularWeight: 268.39494
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CSC(SCC2=C1)(C)C(=O)O)C


Isomeric SMILES

CC1=C(C=C2CSC(SCC2=C1)(C)C(=O)O)C


InChI

InChI=1S/C13H16O2S2/c1-8-4-10-6-16-13(3,12(14)15)17-7-11(10)5-9(8)2/h4-5H,6-7H2,1-3H3,(H,14,15)


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