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methyl 4-[bis(2-chloroethyl)amino]-3-hexadecoxy-benzoate

methyl 4-[bis(2-chloroethyl)amino]-3-hexadecoxy-benzoate

Systemtic Name:methyl 4-[bis(2-chloroethyl)amino]-3-hexadecoxy-benzoate
Openeye Name:methyl 4-[bis(2-chloroethyl)amino]-3-hexadecoxy-benzoate
CAS Name:4-[bis(2-chloroethyl)amino]-3-hexadecoxybenzoic acid methyl ester
IUPAC Name:methyl 4-[bis(2-chloroethyl)amino]-3-hexadecoxybenzoate
Traditional Name:4-[bis(2-chloroethyl)amino]-3-cetyloxy-benzoic acid methyl ester
Formula: C28H47Cl2NO3
MolecularWeight: 516.58368
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)OC)N(CCCl)CCCl


Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)OC)N(CCCl)CCCl


InChI

InChI=1S/C28H47Cl2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-34-27-24-25(28(32)33-2)17-18-26(27)31(21-19-29)22-20-30/h17-18,24H,3-16,19-23H2,1-2H3


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