octan-2-yl 4-(dimethylamino)benzenesulfonate

Systemtic Name: octan-2-yl 4-(dimethylamino)benzenesulfonate Openeye Name: 1-methylheptyl 4-(dimethylamino)benzenesulfonate CAS Name: 4-(dimethylamino)benzenesulfonic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-(dimethylamino)benzenesulfonate Traditional Name: 4-(dimethylamino)benzenesulfonic acid 1-methylheptyl ester Formula: C16H27NO3S MolecularWeight: 313.45548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OS(=O)(=O)C1=CC=C(C=C1)N(C)C

Isomeric SMILES

CCCCCCC(C)OS(=O)(=O)C1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C16H27NO3S/c1-5-6-7-8-9-14(2)20-21(18,19)16-12-10-15(11-13-16)17(3)4/h10-14H,5-9H2,1-4H3