2-heptylbenzenesulfonic acid

Systemtic Name: 2-heptylbenzenesulfonic acid Openeye Name: 2-heptylbenzenesulfonic acid CAS Name: 2-heptylbenzenesulfonic acid IUPAC Name: 2-heptylbenzenesulfonic acid Traditional Name: 2-heptylbesylic acid Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

CCCCCCCC1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C13H20O3S/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)17(14,15)16/h7-8,10-11H,2-6,9H2,1H3,(H,14,15,16)