4-methyl-3-nonanoyloxy-benzenesulfonic acid

Systemtic Name: 4-methyl-3-nonanoyloxy-benzenesulfonic acid Openeye Name: 4-methyl-3-nonanoyloxy-benzenesulfonic acid CAS Name: 4-methyl-3-(1-oxononoxy)benzenesulfonic acid IUPAC Name: 4-methyl-3-nonanoyloxybenzenesulfonic acid Traditional Name: 4-methyl-3-pelargonyloxy-besylic acid Formula: C16H24O5S MolecularWeight: 328.42376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O5S/c1-3-4-5-6-7-8-9-16(17)21-15-12-14(22(18,19)20)11-10-13(15)2/h10-12H,3-9H2,1-2H3,(H,18,19,20)