3-[bis(2-chloroethyl)amino]-4-methyl-benzenesulfonic acid

Systemtic Name: 3-[bis(2-chloroethyl)amino]-4-methyl-benzenesulfonic acid Openeye Name: 3-[bis(2-chloroethyl)amino]-4-methyl-benzenesulfonic acid CAS Name: 3-[bis(2-chloroethyl)amino]-4-methylbenzenesulfonic acid IUPAC Name: 3-[bis(2-chloroethyl)amino]-4-methylbenzenesulfonic acid Traditional Name: 3-[bis(2-chloroethyl)amino]-4-methyl-besylic acid Formula: C11H15Cl2NO3S MolecularWeight: 312.2127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)N(CCCl)CCCl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C11H15Cl2NO3S/c1-9-2-3-10(18(15,16)17)8-11(9)14(6-4-12)7-5-13/h2-3,8H,4-7H2,1H3,(H,15,16,17)