2-azanylpropane-1,3-diol; 3-hexadecylbicyclo[2.2.0]hexa-1(4),2,5-triene

Systemtic Name: 2-azanylpropane-1,3-diol; 3-hexadecylbicyclo[2.2.0]hexa-1(4),2,5-triene Openeye Name: 2-aminopropane-1,3-diol; 3-hexadecylbicyclo[2.2.0]hexa-1(4),2,5-triene CAS Name: 2-aminopropane-1,3-diol; 3-hexadecylbicyclo[2.2.0]hexa-1(4),2,5-triene IUPAC Name: 2-aminopropane-1,3-diol; 3-hexadecylbicyclo[2.2.0]hexa-1(4),2,5-triene Traditional Name: 2-aminopropane-1,3-diol; 3-cetylbicyclo[2.2.0]hexa-1(4),2,5-triene Formula: C25H45NO2 MolecularWeight: 391.6303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC2=C1C=C2.C(C(CO)N)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC2=C1C=C2.C(C(CO)N)O

InChI

InChI=1S/C22H36.C3H9NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-19-21-17-18-22(20)21;4-3(1-5)2-6/h17-19H,2-16H2,1H3;3,5-6H,1-2,4H2