1,2,3-tris-decoxy-4-[diazo-(2-tridecoxyphenyl)sulfonyl-methyl]sulfonyl-benzene

Systemtic Name: 1,2,3-tris-decoxy-4-[diazo-(2-tridecoxyphenyl)sulfonyl-methyl]sulfonyl-benzene Openeye Name: 1,2,3-tris-decoxy-4-[diazo-(2-tridecoxyphenyl)sulfonyl-methyl]sulfonyl-benzene CAS Name: 1,2,3-tris-decoxy-4-[diazo-(2-tridecoxyphenyl)sulfonylmethyl]sulfonylbenzene IUPAC Name: 1,2,3-tris-decoxy-4-[diazo-(2-tridecoxyphenyl)sulfonylmethyl]sulfonylbenzene Traditional Name: 1,2,3-tris-decoxy-4-[diazo-(2-tridecoxyphenyl)sulfonyl-methyl]sulfonyl-benzene Formula: C56H96N2O8S2 MolecularWeight: 989.50004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=CC=C1S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C2=C(C(=C(C=C2)OCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=CC=C1S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C2=C(C(=C(C=C2)OCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC

InChI

InChI=1S/C56H96N2O8S2/c1-5-9-13-17-21-25-26-27-31-32-38-46-63-50-42-36-37-43-52(50)67(59,60)56(58-57)68(61,62)53-45-44-51(64-47-39-33-28-22-18-14-10-6-2)54(65-48-40-34-29-23-19-15-11-7-3)55(53)66-49-41-35-30-24-20-16-12-8-4/h36-37,42-45H,5-35,38-41,46-49H2,1-4H3