methyl 3-(2-heptan-2-ylphenyl)propane-1-sulfonate

Systemtic Name: methyl 3-(2-heptan-2-ylphenyl)propane-1-sulfonate Openeye Name: methyl 3-[2-(1-methylhexyl)phenyl]propane-1-sulfonate CAS Name: 3-(2-heptan-2-ylphenyl)-1-propanesulfonic acid IUPAC Name: methyl 3-(2-heptan-2-ylphenyl)propane-1-sulfonate Traditional Name: 3-[2-(1-methylhexyl)phenyl]propane-1-sulfonic acid methyl ester Formula: C17H28O3S MolecularWeight: 312.46742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1=CC=CC=C1CCCS(=O)(=O)OC

Isomeric SMILES

CCCCCC(C)C1=CC=CC=C1CCCS(=O)(=O)OC

InChI

InChI=1S/C17H28O3S/c1-4-5-6-10-15(2)17-13-8-7-11-16(17)12-9-14-21(18,19)20-3/h7-8,11,13,15H,4-6,9-10,12,14H2,1-3H3