(1R,3aS,6aS)-4-methyl-5-methylsulfanyl-1,3a,6,6a-tetrahydropentalene-1-carboxylic acid

Systemtic Name: (1R,3aS,6aS)-4-methyl-5-methylsulfanyl-1,3a,6,6a-tetrahydropentalene-1-carboxylic acid Openeye Name: (1R,3aS,6aS)-4-methyl-5-methylsulfanyl-1,3a,6,6a-tetrahydropentalene-1-carboxylic acid CAS Name: (1R,3aS,6aS)-4-methyl-5-(methylthio)-1,3a,6,6a-tetrahydropentalene-1-carboxylic acid IUPAC Name: (1R,3aS,6aS)-4-methyl-5-methylsulfanyl-1,3a,6,6a-tetrahydropentalene-1-carboxylic acid Traditional Name: (1R,3aS,6aS)-4-methyl-5-(methylthio)-1,3a,6,6a-tetrahydropentalene-1-carboxylic acid Formula: C11H14O2S MolecularWeight: 210.29266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2C1C=CC2C(=O)O)SC

Isomeric SMILES

CC1=C(C[C@H]2[C@@H]1C=C[C@H]2C(=O)O)SC

InChI

InChI=1S/C11H14O2S/c1-6-7-3-4-8(11(12)13)9(7)5-10(6)14-2/h3-4,7-9H,5H2,1-2H3,(H,12,13)/t7-,8-,9+/m1/s1