4-[bis(2-bromoethyl)amino]phenol; 3-methoxybenzoic acid

Systemtic Name: 4-[bis(2-bromoethyl)amino]phenol; 3-methoxybenzoic acid Openeye Name: 4-[bis(2-bromoethyl)amino]phenol; 3-methoxybenzoic acid CAS Name: 4-[bis(2-bromoethyl)amino]phenol; 3-methoxybenzoic acid IUPAC Name: 4-[bis(2-bromoethyl)amino]phenol; 3-methoxybenzoic acid Traditional Name: 4-[bis(2-bromoethyl)amino]phenol; m-anisic acid Formula: C18H21Br2NO4 MolecularWeight: 475.17164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)O.C1=CC(=CC=C1N(CCBr)CCBr)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)O.C1=CC(=CC=C1N(CCBr)CCBr)O

InChI

InChI=1S/C10H13Br2NO.C8H8O3/c11-5-7-13(8-6-12)9-1-3-10(14)4-2-9;1-11-7-4-2-3-6(5-7)8(9)10/h1-4,14H,5-8H2;2-5H,1H3,(H,9,10)