4-heptylbenzenesulfonic acid

Systemtic Name: 4-heptylbenzenesulfonic acid Openeye Name: 4-heptylbenzenesulfonic acid CAS Name: 4-heptylbenzenesulfonic acid IUPAC Name: 4-heptylbenzenesulfonic acid Traditional Name: 4-heptylbesylic acid Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C13H20O3S/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)17(14,15)16/h8-11H,2-7H2,1H3,(H,14,15,16)