4-[4-[bis(2-chloroethyl)amino]-2-iodanyl-phenyl]butanoic acid

Systemtic Name: 4-[4-[bis(2-chloroethyl)amino]-2-iodanyl-phenyl]butanoic acid Openeye Name: 4-[4-[bis(2-chloroethyl)amino]-2-iodo-phenyl]butanoic acid CAS Name: 4-[4-[bis(2-chloroethyl)amino]-2-iodophenyl]butanoic acid IUPAC Name: 4-[4-[bis(2-chloroethyl)amino]-2-iodophenyl]butanoic acid Traditional Name: 4-[4-[bis(2-chloroethyl)amino]-2-iodo-phenyl]butyric acid Formula: C14H18Cl2INO2 MolecularWeight: 430.10869

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N(CCCl)CCCl)I)CCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N(CCCl)CCCl)I)CCCC(=O)O

InChI

InChI=1S/C14H18Cl2INO2/c15-6-8-18(9-7-16)12-5-4-11(13(17)10-12)2-1-3-14(19)20/h4-5,10H,1-3,6-9H2,(H,19,20)