[(E)-octadec-9-enyl] 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate

Systemtic Name: [(E)-octadec-9-enyl] 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate Openeye Name: [(E)-octadec-9-enyl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate CAS Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [(E)-octadec-9-enyl] ester IUPAC Name: [(E)-octadec-9-enyl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate Traditional Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [(E)-octadec-9-enyl] ester Formula: C30H49Cl2NO2 MolecularWeight: 526.62156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl

InChI

InChI=1S/C30H49Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-35-30(34)27-28-18-20-29(21-19-28)33(24-22-31)25-23-32/h9-10,18-21H,2-8,11-17,22-27H2,1H3/b10-9+