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2-(2-azanylethylamino)ethanol; 4-dodecylbenzenesulfonic acid

2-(2-azanylethylamino)ethanol; 4-dodecylbenzenesulfonic acid

Systemtic Name:2-(2-azanylethylamino)ethanol; 4-dodecylbenzenesulfonic acid
Openeye Name:2-(2-aminoethylamino)ethanol; 4-dodecylbenzenesulfonic acid
CAS Name:2-(2-aminoethylamino)ethanol; 4-dodecylbenzenesulfonic acid
IUPAC Name:2-(2-aminoethylamino)ethanol; 4-dodecylbenzenesulfonic acid
Traditional Name:2-(2-aminoethylamino)ethanol; 4-laurylbesylic acid
Formula: C40H72N2O7S2
MolecularWeight: 757.13888
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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.C(CNCCO)N


Isomeric SMILES

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


InChI

InChI=1S/2C18H30O3S.C4H12N2O/c2*1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;5-1-2-6-3-4-7/h2*13-16H,2-12H2,1H3,(H,19,20,21);6-7H,1-5H2


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