2-heptylnonyl benzenesulfonate

Systemtic Name: 2-heptylnonyl benzenesulfonate Openeye Name: 2-heptylnonyl benzenesulfonate CAS Name: benzenesulfonic acid 2-heptylnonyl ester IUPAC Name: 2-heptylnonyl benzenesulfonate Traditional Name: benzenesulfonic acid 2-heptylnonyl ester Formula: C22H38O3S MolecularWeight: 382.60032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCCCCC)COS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(CCCCCCC)COS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C22H38O3S/c1-3-5-7-9-12-16-21(17-13-10-8-6-4-2)20-25-26(23,24)22-18-14-11-15-19-22/h11,14-15,18-19,21H,3-10,12-13,16-17,20H2,1-2H3