N'-(2-azanylethyl)ethane-1,2-diamine; benzenesulfonic acid

Systemtic Name: N'-(2-azanylethyl)ethane-1,2-diamine; benzenesulfonic acid Openeye Name: N'-(2-aminoethyl)ethane-1,2-diamine; benzenesulfonic acid CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; benzenesulfonic acid IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; benzenesulfonic acid Traditional Name: besylic acid; bis(2-aminoethyl)amine Formula: C22H31N3O9S3 MolecularWeight: 577.69124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)S(=O)(=O)O.C(CNCCN)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)S(=O)(=O)O.C(CNCCN)N

InChI

InChI=1S/3C6H6O3S.C4H13N3/c3*7-10(8,9)6-4-2-1-3-5-6;5-1-3-7-4-2-6/h3*1-5H,(H,7,8,9);7H,1-6H2