1-[diazo-(2-methyl-4-pentoxy-5-propan-2-yl-phenyl)sulfonyl-methyl]sulfonyl-2-methyl-4-pentoxy-5-propan-2-yl-benzene

Systemtic Name: 1-[diazo-(2-methyl-4-pentoxy-5-propan-2-yl-phenyl)sulfonyl-methyl]sulfonyl-2-methyl-4-pentoxy-5-propan-2-yl-benzene Openeye Name: 1-[diazo-(5-isopropyl-2-methyl-4-pentoxy-phenyl)sulfonyl-methyl]sulfonyl-5-isopropyl-2-methyl-4-pentoxy-benzene CAS Name: 1-[diazo-(2-methyl-4-pentoxy-5-propan-2-ylphenyl)sulfonylmethyl]sulfonyl-2-methyl-4-pentoxy-5-propan-2-ylbenzene IUPAC Name: 1-[diazo-(2-methyl-4-pentoxy-5-propan-2-ylphenyl)sulfonylmethyl]sulfonyl-2-methyl-4-pentoxy-5-propan-2-ylbenzene Traditional Name: 1-amoxy-4-[(4-amoxy-5-isopropyl-2-methyl-phenyl)sulfonyl-diazo-methyl]sulfonyl-2-isopropyl-5-methyl-benzene Formula: C31H46N2O6S2 MolecularWeight: 606.83674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C(=C1)C)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C2=CC(=C(C=C2C)OCCCCC)C(C)C)C(C)C

Isomeric SMILES

CCCCCOC1=C(C=C(C(=C1)C)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C2=CC(=C(C=C2C)OCCCCC)C(C)C)C(C)C

InChI

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