4-(2-azanylethyl)-6-chloranyl-3-[2-(4-hydroxyphenyl)ethyl]benzene-1,2-diol

Systemtic Name: 4-(2-azanylethyl)-6-chloranyl-3-[2-(4-hydroxyphenyl)ethyl]benzene-1,2-diol Openeye Name: 4-(2-aminoethyl)-6-chloro-3-[2-(4-hydroxyphenyl)ethyl]benzene-1,2-diol CAS Name: 4-(2-aminoethyl)-6-chloro-3-[2-(4-hydroxyphenyl)ethyl]benzene-1,2-diol IUPAC Name: 4-(2-aminoethyl)-6-chloro-3-[2-(4-hydroxyphenyl)ethyl]benzene-1,2-diol Traditional Name: 4-(2-aminoethyl)-6-chloro-3-[2-(4-hydroxyphenyl)ethyl]pyrocatechol Formula: C16H18ClNO3 MolecularWeight: 307.77202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=C(C(=C(C=C2CCN)Cl)O)O)O

Isomeric SMILES

C1=CC(=CC=C1CCC2=C(C(=C(C=C2CCN)Cl)O)O)O

InChI

InChI=1S/C16H18ClNO3/c17-14-9-11(7-8-18)13(15(20)16(14)21)6-3-10-1-4-12(19)5-2-10/h1-2,4-5,9,19-21H,3,6-8,18H2