[2,4-bis(oxidanyl)phenyl]-[5-butyl-2,3,4-tris(oxidanyl)phenyl]methanone; 7,8-diazido-5,6-bis(oxidanylidene)naphthalene-1-sulfonic acid

Systemtic Name: [2,4-bis(oxidanyl)phenyl]-[5-butyl-2,3,4-tris(oxidanyl)phenyl]methanone; 7,8-diazido-5,6-bis(oxidanylidene)naphthalene-1-sulfonic acid Openeye Name: (5-butyl-2,3,4-trihydroxy-phenyl)-(2,4-dihydroxyphenyl)methanone; 7,8-diazido-5,6-dioxo-naphthalene-1-sulfonic acid CAS Name: (5-butyl-2,3,4-trihydroxyphenyl)-(2,4-dihydroxyphenyl)methanone; 7,8-diazido-5,6-dioxo-1-naphthalenesulfonic acid IUPAC Name: (5-butyl-2,3,4-trihydroxyphenyl)-(2,4-dihydroxyphenyl)methanone; 7,8-diazido-5,6-dioxonaphthalene-1-sulfonic acid Traditional Name: (5-butyl-2,3,4-trihydroxy-phenyl)-(2,4-dihydroxyphenyl)methanone; 7,8-diazido-5,6-diketo-naphthalene-1-sulfonic acid Formula: C27H22N6O11S MolecularWeight: 638.56218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=C1)C(=O)C2=C(C=C(C=C2)O)O)O)O)O.C1=CC2=C(C(=C1)S(=O)(=O)O)C(=C(C(=O)C2=O)N=[N+]=[N-])N=[N+]=[N-]

Isomeric SMILES

CCCCC1=C(C(=C(C(=C1)C(=O)C2=C(C=C(C=C2)O)O)O)O)O.C1=CC2=C(C(=C1)S(=O)(=O)O)C(=C(C(=O)C2=O)N=[N+]=[N-])N=[N+]=[N-]

InChI

InChI=1S/C17H18O6.C10H4N6O5S/c1-2-3-4-9-7-12(16(22)17(23)14(9)20)15(21)11-6-5-10(18)8-13(11)19;11-15-13-7-6-4(2-1-3-5(6)22(19,20)21)9(17)10(18)8(7)14-16-12/h5-8,18-20,22-23H,2-4H2,1H3;1-3H,(H,19,20,21)