(2E,3Z)-2,3-bis[1-azanyl-2-(2-methylphenyl)dodecylidene]butanedinitrile

Systemtic Name: (2E,3Z)-2,3-bis[1-azanyl-2-(2-methylphenyl)dodecylidene]butanedinitrile Openeye Name: (2E,3Z)-2,3-bis[1-amino-2-(o-tolyl)dodecylidene]butanedinitrile CAS Name: (2E,3Z)-2,3-bis[1-amino-2-(2-methylphenyl)dodecylidene]butanedinitrile IUPAC Name: (2E,3Z)-2,3-bis[1-amino-2-(2-methylphenyl)dodecylidene]butanedinitrile Traditional Name: (2E,3Z)-2,3-bis[1-amino-2-(o-tolyl)dodecylidene]succinonitrile Formula: C42H62N4 MolecularWeight: 622.96848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C1=CC=CC=C1C)C(=C(C#N)C(=C(C(CCCCCCCCCC)C2=CC=CC=C2C)N)C#N)N

Isomeric SMILES

CCCCCCCCCCC(C1=CC=CC=C1C)/C(=C(/C#N)\C(=C(\C(CCCCCCCCCC)C2=CC=CC=C2C)/N)\C#N)/N

InChI

InChI=1S/C42H62N4/c1-5-7-9-11-13-15-17-19-29-37(35-27-23-21-25-33(35)3)41(45)39(31-43)40(32-44)42(46)38(36-28-24-22-26-34(36)4)30-20-18-16-14-12-10-8-6-2/h21-28,37-38H,5-20,29-30,45-46H2,1-4H3/b41-39-,42-40+