N-ethylethanamine; methanal; (2-nonylphenyl) (E)-octadec-9-enoate

Systemtic Name: N-ethylethanamine; methanal; (2-nonylphenyl) (E)-octadec-9-enoate Openeye Name: N-ethylethanamine; formaldehyde; (2-nonylphenyl) (E)-octadec-9-enoate CAS Name: N-ethylethanamine; formaldehyde; (E)-9-octadecenoic acid (2-nonylphenyl) ester IUPAC Name: N-ethylethanamine; formaldehyde; (2-nonylphenyl) (E)-octadec-9-enoate Traditional Name: diethylamine; formaldehyde; (E)-octadec-9-enoic acid (2-nonylphenyl) ester Formula: C38H69NO3 MolecularWeight: 587.95936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1OC(=O)CCCCCCCC=CCCCCCCCC.CCNCC.C=O

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1OC(=O)CCCCCCC/C=C/CCCCCCCC.CCNCC.C=O

InChI

InChI=1S/C33H56O2.C4H11N.CH2O/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-30-33(34)35-32-29-26-25-28-31(32)27-23-21-19-10-8-6-4-2;1-3-5-4-2;1-2/h14-15,25-26,28-29H,3-13,16-24,27,30H2,1-2H3;5H,3-4H2,1-2H3;1H2/b15-14+;;