methyl 5-butyl-2-methylsulfonyl-1,3-dihydroindene-2-carboxylate

Systemtic Name: methyl 5-butyl-2-methylsulfonyl-1,3-dihydroindene-2-carboxylate Openeye Name: methyl 5-butyl-2-methylsulfonyl-indane-2-carboxylate CAS Name: 5-butyl-2-methylsulfonyl-1,3-dihydroindene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-butyl-2-methylsulfonyl-1,3-dihydroindene-2-carboxylate Traditional Name: 5-butyl-2-mesyl-indane-2-carboxylic acid methyl ester Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(CC(C2)(C(=O)OC)S(=O)(=O)C)C=C1

Isomeric SMILES

CCCCC1=CC2=C(CC(C2)(C(=O)OC)S(=O)(=O)C)C=C1

InChI

InChI=1S/C16H22O4S/c1-4-5-6-12-7-8-13-10-16(15(17)20-2,21(3,18)19)11-14(13)9-12/h7-9H,4-6,10-11H2,1-3H3