2-chloranyl-3-dodecanoyl-benzenesulfonic acid

Systemtic Name: 2-chloranyl-3-dodecanoyl-benzenesulfonic acid Openeye Name: 2-chloro-3-dodecanoyl-benzenesulfonic acid CAS Name: 2-chloro-3-(1-oxododecyl)benzenesulfonic acid IUPAC Name: 2-chloro-3-dodecanoylbenzenesulfonic acid Traditional Name: 2-chloro-3-lauroyl-besylic acid Formula: C18H27ClO4S MolecularWeight: 374.92258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(C(=CC=C1)S(=O)(=O)O)Cl

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(C(=CC=C1)S(=O)(=O)O)Cl

InChI

InChI=1S/C18H27ClO4S/c1-2-3-4-5-6-7-8-9-10-13-16(20)15-12-11-14-17(18(15)19)24(21,22)23/h11-12,14H,2-10,13H2,1H3,(H,21,22,23)