5-(2-azanylethyl)-3-chloranyl-1-[2-(3-hydroxyphenyl)ethyl]cyclohexa-3,5-diene-1,2-diol

Systemtic Name: 5-(2-azanylethyl)-3-chloranyl-1-[2-(3-hydroxyphenyl)ethyl]cyclohexa-3,5-diene-1,2-diol Openeye Name: 5-(2-aminoethyl)-3-chloro-1-[2-(3-hydroxyphenyl)ethyl]cyclohexa-3,5-diene-1,2-diol CAS Name: 5-(2-aminoethyl)-3-chloro-1-[2-(3-hydroxyphenyl)ethyl]cyclohexa-3,5-diene-1,2-diol IUPAC Name: 5-(2-aminoethyl)-3-chloro-1-[2-(3-hydroxyphenyl)ethyl]cyclohexa-3,5-diene-1,2-diol Traditional Name: 5-(2-aminoethyl)-3-chloro-1-[2-(3-hydroxyphenyl)ethyl]cyclohexa-3,5-diene-1,2-diol Formula: C16H20ClNO3 MolecularWeight: 309.7879

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)CCC2(C=C(C=C(C2O)Cl)CCN)O

Isomeric SMILES

C1=CC(=CC(=C1)O)CCC2(C=C(C=C(C2O)Cl)CCN)O

InChI

InChI=1S/C16H20ClNO3/c17-14-9-12(5-7-18)10-16(21,15(14)20)6-4-11-2-1-3-13(19)8-11/h1-3,8-10,15,19-21H,4-7,18H2