heptyl 2-chloranylbenzenesulfonate

Systemtic Name: heptyl 2-chloranylbenzenesulfonate Openeye Name: heptyl 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid heptyl ester IUPAC Name: heptyl 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid heptyl ester Formula: C13H19ClO3S MolecularWeight: 290.80616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOS(=O)(=O)C1=CC=CC=C1Cl

Isomeric SMILES

CCCCCCCOS(=O)(=O)C1=CC=CC=C1Cl

InChI

InChI=1S/C13H19ClO3S/c1-2-3-4-5-8-11-17-18(15,16)13-10-7-6-9-12(13)14/h6-7,9-10H,2-5,8,11H2,1H3