2-oxidanylideneheptyl 4-oxidanylbenzenesulfonate

Systemtic Name: 2-oxidanylideneheptyl 4-oxidanylbenzenesulfonate Openeye Name: 2-oxoheptyl 4-hydroxybenzenesulfonate CAS Name: 4-hydroxybenzenesulfonic acid 2-oxoheptyl ester IUPAC Name: 2-oxoheptyl 4-hydroxybenzenesulfonate Traditional Name: 4-hydroxybenzenesulfonic acid 2-ketoheptyl ester Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O5S/c1-2-3-4-5-12(15)10-18-19(16,17)13-8-6-11(14)7-9-13/h6-9,14H,2-5,10H2,1H3