3-methylbutyl 3-chloranylsulfonylbenzoate

Systemtic Name: 3-methylbutyl 3-chloranylsulfonylbenzoate Openeye Name: isopentyl 3-chlorosulfonylbenzoate CAS Name: 3-chlorosulfonylbenzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-chlorosulfonylbenzoate Traditional Name: 3-chlorosulfonylbenzoic acid isoamyl ester Formula: C12H15ClO4S MolecularWeight: 290.7631

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)Cl

Isomeric SMILES

CC(C)CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)Cl

InChI

InChI=1S/C12H15ClO4S/c1-9(2)6-7-17-12(14)10-4-3-5-11(8-10)18(13,15)16/h3-5,8-9H,6-7H2,1-2H3