octadecanoate; 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol

Systemtic Name: octadecanoate; 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol Openeye Name: 1-(2-allyloxyphenoxy)-3-(isopropylamino)propan-2-ol; octadecanoate CAS Name: octadecanoate; 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)-2-propanol IUPAC Name: octadecanoate; 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol Traditional Name: 1-(2-allyloxyphenoxy)-3-(isopropylamino)propan-2-ol; stearate Formula: C33H58NO5- MolecularWeight: 548.81732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CC(C)NCC(COC1=CC=CC=C1OCC=C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CC(C)NCC(COC1=CC=CC=C1OCC=C)O

InChI

InChI=1S/C18H36O2.C15H23NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h2-17H2,1H3,(H,19,20);4-8,12-13,16-17H,1,9-11H2,2-3H3/p-1