2-[3-[3,4-bis(trichloromethyl)phenyl]azepan-3-yl]ethanol

Systemtic Name: 2-[3-[3,4-bis(trichloromethyl)phenyl]azepan-3-yl]ethanol Openeye Name: 2-[3-[3,4-bis(trichloromethyl)phenyl]azepan-3-yl]ethanol CAS Name: 2-[3-[3,4-bis(trichloromethyl)phenyl]-3-azepanyl]ethanol IUPAC Name: 2-[3-[3,4-bis(trichloromethyl)phenyl]azepan-3-yl]ethanol Traditional Name: 2-[3-[3,4-bis(trichloromethyl)phenyl]azepan-3-yl]ethanol Formula: C16H19Cl6NO MolecularWeight: 454.04616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNCC(C1)(CCO)C2=CC(=C(C=C2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

Isomeric SMILES

C1CCNCC(C1)(CCO)C2=CC(=C(C=C2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

InChI

InChI=1S/C16H19Cl6NO/c17-15(18,19)12-4-3-11(9-13(12)16(20,21)22)14(6-8-24)5-1-2-7-23-10-14/h3-4,9,23-24H,1-2,5-8,10H2