benzoic acid; 4-[bis(2-chloroethyl)amino]phenol

Systemtic Name: benzoic acid; 4-[bis(2-chloroethyl)amino]phenol Openeye Name: benzoic acid; 4-[bis(2-chloroethyl)amino]phenol CAS Name: benzoic acid; 4-[bis(2-chloroethyl)amino]phenol IUPAC Name: benzoic acid; 4-[bis(2-chloroethyl)amino]phenol Traditional Name: benzoic acid; 4-[bis(2-chloroethyl)amino]phenol Formula: C17H19Cl2NO3 MolecularWeight: 356.24366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O.C1=CC(=CC=C1N(CCCl)CCCl)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O.C1=CC(=CC=C1N(CCCl)CCCl)O

InChI

InChI=1S/C10H13Cl2NO.C7H6O2/c11-5-7-13(8-6-12)9-1-3-10(14)4-2-9;8-7(9)6-4-2-1-3-5-6/h1-4,14H,5-8H2;1-5H,(H,8,9)