(3a-methyl-7-oxidanylidene-2,3,4,7a-tetrahydro-1H-inden-5-yl) 2-chloranyl-4-methylsulfonyloxy-benzoate

Systemtic Name: (3a-methyl-7-oxidanylidene-2,3,4,7a-tetrahydro-1H-inden-5-yl) 2-chloranyl-4-methylsulfonyloxy-benzoate Openeye Name: (3a-methyl-7-oxo-2,3,4,7a-tetrahydro-1H-inden-5-yl) 2-chloro-4-methylsulfonyloxy-benzoate CAS Name: 2-chloro-4-methylsulfonyloxybenzoic acid (3a-methyl-7-oxo-2,3,4,7a-tetrahydro-1H-inden-5-yl) ester IUPAC Name: (3a-methyl-7-oxo-2,3,4,7a-tetrahydro-1H-inden-5-yl) 2-chloro-4-methylsulfonyloxybenzoate Traditional Name: 2-chloro-4-methylsulfonyloxy-benzoic acid (7-keto-3a-methyl-2,3,4,7a-tetrahydro-1H-inden-5-yl) ester Formula: C18H19ClO6S MolecularWeight: 398.85786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC1C(=O)C=C(C2)OC(=O)C3=C(C=C(C=C3)OS(=O)(=O)C)Cl

Isomeric SMILES

CC12CCCC1C(=O)C=C(C2)OC(=O)C3=C(C=C(C=C3)OS(=O)(=O)C)Cl

InChI

InChI=1S/C18H19ClO6S/c1-18-7-3-4-14(18)16(20)9-12(10-18)24-17(21)13-6-5-11(8-15(13)19)25-26(2,22)23/h5-6,8-9,14H,3-4,7,10H2,1-2H3