(6-methyl-2-oxidanylidene-heptyl) 4-ethoxybenzenesulfonate

Systemtic Name: (6-methyl-2-oxidanylidene-heptyl) 4-ethoxybenzenesulfonate Openeye Name: (6-methyl-2-oxo-heptyl) 4-ethoxybenzenesulfonate CAS Name: 4-ethoxybenzenesulfonic acid (6-methyl-2-oxoheptyl) ester IUPAC Name: (6-methyl-2-oxoheptyl) 4-ethoxybenzenesulfonate Traditional Name: 4-ethoxybenzenesulfonic acid (2-keto-6-methyl-heptyl) ester Formula: C16H24O5S MolecularWeight: 328.42376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)OCC(=O)CCCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)OCC(=O)CCCC(C)C

InChI

InChI=1S/C16H24O5S/c1-4-20-15-8-10-16(11-9-15)22(18,19)21-12-14(17)7-5-6-13(2)3/h8-11,13H,4-7,12H2,1-3H3