2-chloranyl-N-(2-chloroethyl)-N-methyl-ethanamine; 2-sulfanylbenzoic acid

Systemtic Name: 2-chloranyl-N-(2-chloroethyl)-N-methyl-ethanamine; 2-sulfanylbenzoic acid Openeye Name: 2-chloro-N-(2-chloroethyl)-N-methyl-ethanamine; 2-sulfanylbenzoic acid CAS Name: 2-chloro-N-(2-chloroethyl)-N-methylethanamine; 2-mercaptobenzoic acid IUPAC Name: 2-chloro-N-(2-chloroethyl)-N-methylethanamine; 2-sulfanylbenzoic acid Traditional Name: bis(2-chloroethyl)-methyl-amine; 2-mercaptobenzoic acid Formula: C12H17Cl2NO2S MolecularWeight: 310.23988

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCl)CCCl.C1=CC=C(C(=C1)C(=O)O)S

Isomeric SMILES

CN(CCCl)CCCl.C1=CC=C(C(=C1)C(=O)O)S

InChI

InChI=1S/C7H6O2S.C5H11Cl2N/c8-7(9)5-3-1-2-4-6(5)10;1-8(4-2-6)5-3-7/h1-4,10H,(H,8,9);2-5H2,1H3