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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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