1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one; N-octyl-1-[10-(4-octyliminopyridin-1-yl)decyl]pyridin-4-imine

Systemtic Name: 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one; N-octyl-1-[10-(4-octyliminopyridin-1-yl)decyl]pyridin-4-imine Openeye Name: 1,1-dioxo-1,2-benzothiazol-3-one; N-octyl-1-[10-(4-octylimino-1-pyridyl)decyl]pyridin-4-imine CAS Name: 1,1-dioxo-1,2-benzothiazol-3-one; N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]-4-pyridinimine IUPAC Name: 1,1-dioxo-1,2-benzothiazol-3-one; N-octyl-1-[10-(4-octyliminopyridin-1-yl)decyl]pyridin-4-imine Traditional Name: 1,1-diketo-1,2-benzothiazol-3-one; octyl-[1-[10-(4-octylimino-1-pyridyl)decyl]-4-pyridylidene]amine Formula: C50H72N6O6S2 MolecularWeight: 917.27328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN=C1C=CN(C=C1)CCCCCCCCCCN2C=CC(=NCCCCCCCC)C=C2.C1=CC=C2C(=C1)C(=O)NS2(=O)=O.C1=CC=C2C(=C1)C(=O)NS2(=O)=O

Isomeric SMILES

CCCCCCCCN=C1C=CN(C=C1)CCCCCCCCCCN2C=CC(=NCCCCCCCC)C=C2.C1=CC=C2C(=C1)C(=O)NS2(=O)=O.C1=CC=C2C(=C1)C(=O)NS2(=O)=O

InChI

InChI=1S/C36H62N4.2C7H5NO3S/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2;2*9-7-5-3-1-2-4-6(5)12(10,11)8-7/h23-26,31-34H,3-22,27-30H2,1-2H3;2*1-4H,(H,8,9)