benzene-1,2-diol; 2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine

Systemtic Name: benzene-1,2-diol; 2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine Openeye Name: benzene-1,2-diol; 2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine CAS Name: benzene-1,2-diol; 2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine IUPAC Name: benzene-1,2-diol; 2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine Traditional Name: 2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-dimethyl-amine; pyrocatechol Formula: C32H35NO3 MolecularWeight: 481.6252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C1=CC=C(C(=C1)O)O

Isomeric SMILES

CC/C(=C(/C1=CC=CC=C1)\C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3.C1=CC=C(C(=C1)O)O

InChI

InChI=1S/C26H29NO.C6H6O2/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;7-5-3-1-2-4-6(5)8/h5-18H,4,19-20H2,1-3H3;1-4,7-8H/b26-25+;