3-nonanoyloxybenzenesulfonic acid

Systemtic Name: 3-nonanoyloxybenzenesulfonic acid Openeye Name: 3-nonanoyloxybenzenesulfonic acid CAS Name: 3-(1-oxononoxy)benzenesulfonic acid IUPAC Name: 3-nonanoyloxybenzenesulfonic acid Traditional Name: 3-pelargonyloxybesylic acid Formula: C15H22O5S MolecularWeight: 314.39718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC(=CC=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC(=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C15H22O5S/c1-2-3-4-5-6-7-11-15(16)20-13-9-8-10-14(12-13)21(17,18)19/h8-10,12H,2-7,11H2,1H3,(H,17,18,19)