6-[diazo-(6,7-dioctoxynaphthalen-2-yl)sulfonyl-methyl]sulfonyl-2,3-dioctoxy-naphthalene

Systemtic Name: 6-[diazo-(6,7-dioctoxynaphthalen-2-yl)sulfonyl-methyl]sulfonyl-2,3-dioctoxy-naphthalene Openeye Name: 6-[diazo-[(6,7-dioctoxy-2-naphthyl)sulfonyl]methyl]sulfonyl-2,3-dioctoxy-naphthalene CAS Name: 6-[diazo-[(6,7-dioctoxy-2-naphthalenyl)sulfonyl]methyl]sulfonyl-2,3-dioctoxynaphthalene IUPAC Name: 6-[diazo-(6,7-dioctoxynaphthalen-2-yl)sulfonylmethyl]sulfonyl-2,3-dioctoxynaphthalene Traditional Name: 6-[diazo-[(6,7-dioctoxy-2-naphthyl)sulfonyl]methyl]sulfonyl-2,3-dioctoxy-naphthalene Formula: C53H78N2O8S2 MolecularWeight: 935.32502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C2C=C(C=CC2=C1)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C3=CC4=CC(=C(C=C4C=C3)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=C(C=C2C=C(C=CC2=C1)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C3=CC4=CC(=C(C=C4C=C3)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC

InChI

InChI=1S/C53H78N2O8S2/c1-5-9-13-17-21-25-33-60-49-39-43-29-31-47(37-45(43)41-51(49)62-35-27-23-19-15-11-7-3)64(56,57)53(55-54)65(58,59)48-32-30-44-40-50(61-34-26-22-18-14-10-6-2)52(42-46(44)38-48)63-36-28-24-20-16-12-8-4/h29-32,37-42H,5-28,33-36H2,1-4H3