N'-(2-azanylethyl)ethane-1,2-diamine; 4-dodecylbenzenesulfonic acid

Systemtic Name: N'-(2-azanylethyl)ethane-1,2-diamine; 4-dodecylbenzenesulfonic acid Openeye Name: N'-(2-aminoethyl)ethane-1,2-diamine; 4-dodecylbenzenesulfonic acid CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; 4-dodecylbenzenesulfonic acid IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; 4-dodecylbenzenesulfonic acid Traditional Name: bis(2-aminoethyl)amine; 4-laurylbesylic acid Formula: C58H103N3O9S3 MolecularWeight: 1082.64812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.C(CNCCN)N

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.C(CNCCN)N

InChI

InChI=1S/3C18H30O3S.C4H13N3/c3*1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;5-1-3-7-4-2-6/h3*13-16H,2-12H2,1H3,(H,19,20,21);7H,1-6H2