[4-(2-methylheptan-2-yl)phenyl] 7,8-diazido-5,6-bis(oxidanylidene)naphthalene-1-sulfonate

Systemtic Name: [4-(2-methylheptan-2-yl)phenyl] 7,8-diazido-5,6-bis(oxidanylidene)naphthalene-1-sulfonate Openeye Name: [4-(1,1-dimethylhexyl)phenyl] 7,8-diazido-5,6-dioxo-naphthalene-1-sulfonate CAS Name: 7,8-diazido-5,6-dioxo-1-naphthalenesulfonic acid [4-(2-methylheptan-2-yl)phenyl] ester IUPAC Name: [4-(2-methylheptan-2-yl)phenyl] 7,8-diazido-5,6-dioxonaphthalene-1-sulfonate Traditional Name: 7,8-diazido-5,6-diketo-naphthalene-1-sulfonic acid [4-(1,1-dimethylhexyl)phenyl] ester Formula: C24H24N6O5S MolecularWeight: 508.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C(=C(C(=O)C3=O)N=[N+]=[N-])N=[N+]=[N-]

Isomeric SMILES

CCCCCC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C(=C(C(=O)C3=O)N=[N+]=[N-])N=[N+]=[N-]

InChI

InChI=1S/C24H24N6O5S/c1-4-5-6-14-24(2,3)15-10-12-16(13-11-15)35-36(33,34)18-9-7-8-17-19(18)20(27-29-25)21(28-30-26)23(32)22(17)31/h7-13H,4-6,14H2,1-3H3