2,2-bis(chloranyl)-12-sulfinyl-dodecanoic acid; chloranylbenzene

Systemtic Name: 2,2-bis(chloranyl)-12-sulfinyl-dodecanoic acid; chloranylbenzene Openeye Name: chlorobenzene; 2,2-dichloro-12-sulfinyl-dodecanoic acid CAS Name: chlorobenzene; 2,2-dichloro-12-sulfinyldodecanoic acid IUPAC Name: chlorobenzene; 2,2-dichloro-12-sulfinyldodecanoic acid Traditional Name: chlorobenzene; 2,2-dichloro-12-sulfinyl-lauric acid Formula: C18H25Cl3O3S MolecularWeight: 427.8133

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)Cl.C(CCCCC=S=O)CCCCC(C(=O)O)(Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)Cl.C(CCCCC=S=O)CCCCC(C(=O)O)(Cl)Cl

InChI

InChI=1S/C12H20Cl2O3S.C6H5Cl/c13-12(14,11(15)16)9-7-5-3-1-2-4-6-8-10-18-17;7-6-4-2-1-3-5-6/h10H,1-9H2,(H,15,16);1-5H