2-nonanoyl-6-oxidanyl-benzenesulfonic acid

Systemtic Name: 2-nonanoyl-6-oxidanyl-benzenesulfonic acid Openeye Name: 2-hydroxy-6-nonanoyl-benzenesulfonic acid CAS Name: 2-hydroxy-6-(1-oxononyl)benzenesulfonic acid IUPAC Name: 2-hydroxy-6-nonanoylbenzenesulfonic acid Traditional Name: 2-hydroxy-6-pelargonyl-besylic acid Formula: C15H22O5S MolecularWeight: 314.39718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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