2-chloranyl-5-(dodecoxymethylcarbamoyl)benzenesulfinic acid

Systemtic Name: 2-chloranyl-5-(dodecoxymethylcarbamoyl)benzenesulfinic acid Openeye Name: 2-chloro-5-(dodecoxymethylcarbamoyl)benzenesulfinic acid CAS Name: 2-chloro-5-[(dodecoxymethylamino)-oxomethyl]benzenesulfinic acid IUPAC Name: 2-chloro-5-(dodecoxymethylcarbamoyl)benzenesulfinic acid Traditional Name: 2-chloro-5-(lauryloxymethylcarbamoyl)benzenesulfinic acid Formula: C20H32ClNO4S MolecularWeight: 417.99038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32ClNO4S/c1-2-3-4-5-6-7-8-9-10-11-14-26-16-22-20(23)17-12-13-18(21)19(15-17)27(24)25/h12-13,15H,2-11,14,16H2,1H3,(H,22,23)(H,24,25)