6-[diazo-(6,7-diheptoxynaphthalen-2-yl)sulfonyl-methyl]sulfonyl-2,3-diheptoxy-naphthalene

Systemtic Name: 6-[diazo-(6,7-diheptoxynaphthalen-2-yl)sulfonyl-methyl]sulfonyl-2,3-diheptoxy-naphthalene Openeye Name: 6-[diazo-[(6,7-diheptoxy-2-naphthyl)sulfonyl]methyl]sulfonyl-2,3-diheptoxy-naphthalene CAS Name: 6-[diazo-[(6,7-diheptoxy-2-naphthalenyl)sulfonyl]methyl]sulfonyl-2,3-diheptoxynaphthalene IUPAC Name: 6-[diazo-(6,7-diheptoxynaphthalen-2-yl)sulfonylmethyl]sulfonyl-2,3-diheptoxynaphthalene Traditional Name: 6-[diazo-[(6,7-diheptoxy-2-naphthyl)sulfonyl]methyl]sulfonyl-2,3-diheptoxy-naphthalene Formula: C49H70N2O8S2 MolecularWeight: 879.2187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C2C=C(C=CC2=C1)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C3=CC4=CC(=C(C=C4C=C3)OCCCCCCC)OCCCCCCC)OCCCCCCC

Isomeric SMILES

CCCCCCCOC1=C(C=C2C=C(C=CC2=C1)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C3=CC4=CC(=C(C=C4C=C3)OCCCCCCC)OCCCCCCC)OCCCCCCC

InChI

InChI=1S/C49H70N2O8S2/c1-5-9-13-17-21-29-56-45-35-39-25-27-43(33-41(39)37-47(45)58-31-23-19-15-11-7-3)60(52,53)49(51-50)61(54,55)44-28-26-40-36-46(57-30-22-18-14-10-6-2)48(38-42(40)34-44)59-32-24-20-16-12-8-4/h25-28,33-38H,5-24,29-32H2,1-4H3