2-oxidanylideneheptyl 4-butoxybenzenesulfonate

Systemtic Name: 2-oxidanylideneheptyl 4-butoxybenzenesulfonate Openeye Name: 2-oxoheptyl 4-butoxybenzenesulfonate CAS Name: 4-butoxybenzenesulfonic acid 2-oxoheptyl ester IUPAC Name: 2-oxoheptyl 4-butoxybenzenesulfonate Traditional Name: 4-butoxybenzenesulfonic acid 2-ketoheptyl ester Formula: C17H26O5S MolecularWeight: 342.45034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)COS(=O)(=O)C1=CC=C(C=C1)OCCCC

Isomeric SMILES

CCCCCC(=O)COS(=O)(=O)C1=CC=C(C=C1)OCCCC

InChI

InChI=1S/C17H26O5S/c1-3-5-7-8-15(18)14-22-23(19,20)17-11-9-16(10-12-17)21-13-6-4-2/h9-12H,3-8,13-14H2,1-2H3