2-(1,3-benzodioxol-5-ylmethyl)-1,3-bis(2,4,6-trimethylphenyl)guanidine

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-1,3-bis(2,4,6-trimethylphenyl)guanidine Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-1,3-bis(2,4,6-trimethylphenyl)guanidine CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-1,3-bis(2,4,6-trimethylphenyl)guanidine IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-1,3-bis(2,4,6-trimethylphenyl)guanidine Traditional Name: 1,3-dimesityl-2-piperonyl-guanidine Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=NCC2=CC3=C(C=C2)OCO3)NC4=C(C=C(C=C4C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=NCC2=CC3=C(C=C2)OCO3)NC4=C(C=C(C=C4C)C)C)C

InChI

InChI=1S/C27H31N3O2/c1-16-9-18(3)25(19(4)10-16)29-27(30-26-20(5)11-17(2)12-21(26)6)28-14-22-7-8-23-24(13-22)32-15-31-23/h7-13H,14-15H2,1-6H3,(H2,28,29,30)