(3-butyl-2-oxidanylidene-heptyl) 4-ethoxybenzenesulfonate

Systemtic Name: (3-butyl-2-oxidanylidene-heptyl) 4-ethoxybenzenesulfonate Openeye Name: (3-butyl-2-oxo-heptyl) 4-ethoxybenzenesulfonate CAS Name: 4-ethoxybenzenesulfonic acid (3-butyl-2-oxoheptyl) ester IUPAC Name: (3-butyl-2-oxoheptyl) 4-ethoxybenzenesulfonate Traditional Name: 4-ethoxybenzenesulfonic acid (3-butyl-2-keto-heptyl) ester Formula: C19H30O5S MolecularWeight: 370.5035

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)C(=O)COS(=O)(=O)C1=CC=C(C=C1)OCC

Isomeric SMILES

CCCCC(CCCC)C(=O)COS(=O)(=O)C1=CC=C(C=C1)OCC

InChI

InChI=1S/C19H30O5S/c1-4-7-9-16(10-8-5-2)19(20)15-24-25(21,22)18-13-11-17(12-14-18)23-6-3/h11-14,16H,4-10,15H2,1-3H3