disodium; N'-(2-azanylethyl)ethane-1,2-diamine; 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid

Systemtic Name: disodium; N'-(2-azanylethyl)ethane-1,2-diamine; 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid Openeye Name: disodium; N'-(2-aminoethyl)ethane-1,2-diamine; 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid CAS Name: disodium; N'-(2-aminoethyl)ethane-1,2-diamine; 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid IUPAC Name: disodium; N'-(2-aminoethyl)ethane-1,2-diamine; 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid Traditional Name: disodium; bis(2-aminoethyl)amine; tosylic acid; ditosylate Formula: C25H35N3Na2O9S3 MolecularWeight: 663.73464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C(CNCCN)N.[Na+].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C(CNCCN)N.[Na+].[Na+]

InChI

InChI=1S/3C7H8O3S.C4H13N3.2Na/c3*1-6-2-4-7(5-3-6)11(8,9)10;5-1-3-7-4-2-6;;/h3*2-5H,1H3,(H,8,9,10);7H,1-6H2;;/q;;;;2*+1/p-2