3-methyl-5-nonyl-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 3-methyl-5-nonyl-2-oxidanyl-benzenesulfonic acid Openeye Name: 2-hydroxy-3-methyl-5-nonyl-benzenesulfonic acid CAS Name: 2-hydroxy-3-methyl-5-nonylbenzenesulfonic acid IUPAC Name: 2-hydroxy-3-methyl-5-nonylbenzenesulfonic acid Traditional Name: 2-hydroxy-3-methyl-5-nonyl-besylic acid Formula: C16H26O4S MolecularWeight: 314.44024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C(=C1)S(=O)(=O)O)O)C

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C(=C1)S(=O)(=O)O)O)C

InChI

InChI=1S/C16H26O4S/c1-3-4-5-6-7-8-9-10-14-11-13(2)16(17)15(12-14)21(18,19)20/h11-12,17H,3-10H2,1-2H3,(H,18,19,20)