7,11-dimethyl-4,14-bis[(8-nitroquinolin-2-yl)methyl]-1-thia-4,7,11,14-tetrazacyclohexadecane

Systemtic Name: 7,11-dimethyl-4,14-bis[(8-nitroquinolin-2-yl)methyl]-1-thia-4,7,11,14-tetrazacyclohexadecane Openeye Name: 7,11-dimethyl-4,14-bis[(8-nitro-2-quinolyl)methyl]-1-thia-4,7,11,14-tetrazacyclohexadecane CAS Name: 7,11-dimethyl-4,14-bis[(8-nitro-2-quinolinyl)methyl]-1-thia-4,7,11,14-tetrazacyclohexadecane IUPAC Name: 7,11-dimethyl-4,14-bis[(8-nitroquinolin-2-yl)methyl]-1-thia-4,7,11,14-tetrazacyclohexadecane Traditional Name: 7,11-dimethyl-4,14-bis[(8-nitro-2-quinolyl)methyl]-1-thia-4,7,11,14-tetrazacyclohexadecane Formula: C33H42N8O4S MolecularWeight: 646.80278

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CCN(CCSCCN(CC1)CC2=NC3=C(C=CC=C3[N+](=O)[O-])C=C2)CC4=NC5=C(C=CC=C5[N+](=O)[O-])C=C4)C

Isomeric SMILES

CN1CCCN(CCN(CCSCCN(CC1)CC2=NC3=C(C=CC=C3[N+](=O)[O-])C=C2)CC4=NC5=C(C=CC=C5[N+](=O)[O-])C=C4)C

InChI

InChI=1S/C33H42N8O4S/c1-36-14-5-15-37(2)17-19-39(25-29-13-11-27-7-4-9-31(41(44)45)33(27)35-29)21-23-46-22-20-38(18-16-36)24-28-12-10-26-6-3-8-30(40(42)43)32(26)34-28/h3-4,6-13H,5,14-25H2,1-2H3