N2-(2-azanylethyl)propane-1,2-diamine; ethanoic acid; [isothiocyanato(phenyl)methyl] ethanoate

Systemtic Name: N2-(2-azanylethyl)propane-1,2-diamine; ethanoic acid; [isothiocyanato(phenyl)methyl] ethanoate Openeye Name: acetic acid; N2-(2-aminoethyl)propane-1,2-diamine; [isothiocyanato(phenyl)methyl] acetate CAS Name: acetic acid; acetic acid [isothiocyanato(phenyl)methyl] ester; N2-(2-aminoethyl)propane-1,2-diamine IUPAC Name: acetic acid; 2-N-(2-aminoethyl)propane-1,2-diamine; [isothiocyanato(phenyl)methyl] acetate Traditional Name: acetic acid; acetic acid [isothiocyanato(phenyl)methyl] ester; 2-aminoethyl-(2-amino-1-methyl-ethyl)amine Formula: C23H40N4O10S MolecularWeight: 564.6495

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN)NCCN.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)OC(C1=CC=CC=C1)N=C=S

Isomeric SMILES

CC(CN)NCCN.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)OC(C1=CC=CC=C1)N=C=S

InChI

InChI=1S/C10H9NO2S.C5H15N3.4C2H4O2/c1-8(12)13-10(11-7-14)9-5-3-2-4-6-9;1-5(4-7)8-3-2-6;4*1-2(3)4/h2-6,10H,1H3;5,8H,2-4,6-7H2,1H3;4*1H3,(H,3,4)