4-[diazo-(3-methyl-4-octoxy-phenyl)sulfonyl-methyl]sulfonyl-2-methyl-1-octoxy-benzene

Systemtic Name: 4-[diazo-(3-methyl-4-octoxy-phenyl)sulfonyl-methyl]sulfonyl-2-methyl-1-octoxy-benzene Openeye Name: 4-[diazo-(3-methyl-4-octoxy-phenyl)sulfonyl-methyl]sulfonyl-2-methyl-1-octoxy-benzene CAS Name: 4-[diazo-(3-methyl-4-octoxyphenyl)sulfonylmethyl]sulfonyl-2-methyl-1-octoxybenzene IUPAC Name: 4-[diazo-(3-methyl-4-octoxyphenyl)sulfonylmethyl]sulfonyl-2-methyl-1-octoxybenzene Traditional Name: 4-[diazo-(3-methyl-4-octoxy-phenyl)sulfonyl-methyl]sulfonyl-2-methyl-1-octoxy-benzene Formula: C31H46N2O6S2 MolecularWeight: 606.83674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C2=CC(=C(C=C2)OCCCCCCCC)C)C

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C2=CC(=C(C=C2)OCCCCCCCC)C)C

InChI

InChI=1S/C31H46N2O6S2/c1-5-7-9-11-13-15-21-38-29-19-17-27(23-25(29)3)40(34,35)31(33-32)41(36,37)28-18-20-30(26(4)24-28)39-22-16-14-12-10-8-6-2/h17-20,23-24H,5-16,21-22H2,1-4H3