5-methyl-3-[(4-methylphenyl)sulfonyloxymethyl]nonanoic acid

Systemtic Name: 5-methyl-3-[(4-methylphenyl)sulfonyloxymethyl]nonanoic acid Openeye Name: 5-methyl-3-(p-tolylsulfonyloxymethyl)nonanoic acid CAS Name: 5-methyl-3-[(4-methylphenyl)sulfonyloxymethyl]nonanoic acid IUPAC Name: 5-methyl-3-[(4-methylphenyl)sulfonyloxymethyl]nonanoic acid Traditional Name: 5-methyl-3-(tosyloxymethyl)pelargonic acid Formula: C18H28O5S MolecularWeight: 356.47692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28O5S/c1-4-5-6-15(3)11-16(12-18(19)20)13-23-24(21,22)17-9-7-14(2)8-10-17/h7-10,15-16H,4-6,11-13H2,1-3H3,(H,19,20)