2-[bis(2-chloroethyl)amino]ethanol; 2,4,6-trinitrobenzenesulfonic acid

Systemtic Name: 2-[bis(2-chloroethyl)amino]ethanol; 2,4,6-trinitrobenzenesulfonic acid Openeye Name: 2-[bis(2-chloroethyl)amino]ethanol; 2,4,6-trinitrobenzenesulfonic acid CAS Name: 2-[bis(2-chloroethyl)amino]ethanol; 2,4,6-trinitrobenzenesulfonic acid IUPAC Name: 2-[bis(2-chloroethyl)amino]ethanol; 2,4,6-trinitrobenzenesulfonic acid Traditional Name: 2-[bis(2-chloroethyl)amino]ethanol; 2,4,6-trinitrobesylic acid Formula: C12H16Cl2N4O10S MolecularWeight: 479.24724

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-].C(CO)N(CCCl)CCCl

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-].C(CO)N(CCCl)CCCl

InChI

InChI=1S/C6H13Cl2NO.C6H3N3O9S/c7-1-3-9(4-2-8)5-6-10;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h10H,1-6H2;1-2H,(H,16,17,18)