disodium 6-azanylidene-5-[2-[3-[4-[2-[4-[3-[2-(2-azanylidene-8-oxidanylidene-6-sulfo-naphthalen-1-yl)hydrazinyl]phenyl]sulfonyloxyphenyl]propan-2-yl]phenoxy]sulfonylphenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: disodium 6-azanylidene-5-[2-[3-[4-[2-[4-[3-[2-(2-azanylidene-8-oxidanylidene-6-sulfo-naphthalen-1-yl)hydrazinyl]phenyl]sulfonyloxyphenyl]propan-2-yl]phenoxy]sulfonylphenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: disodium 6-imino-5-[2-[3-[4-[1-[4-[3-[2-(2-imino-8-oxo-6-sulfo-1-naphthyl)hydrazino]phenyl]sulfonyloxyphenyl]-1-methyl-ethyl]phenoxy]sulfonylphenyl]hydrazino]-4-oxo-naphthalene-2-sulfonic acid CAS Name: disodium 6-imino-5-[[3-[4-[2-[4-[3-[(2-imino-8-oxo-6-sulfo-1-naphthalenyl)hydrazo]phenyl]sulfonyloxyphenyl]propan-2-yl]phenoxy]sulfonylphenyl]hydrazo]-4-oxo-2-naphthalenesulfonic acid IUPAC Name: disodium 6-imino-5-[2-[3-[4-[2-[4-[3-[2-(2-imino-8-oxo-6-sulfonaphthalen-1-yl)hydrazinyl]phenyl]sulfonyloxyphenyl]propan-2-yl]phenoxy]sulfonylphenyl]hydrazinyl]-4-oxonaphthalene-2-sulfonic acid Traditional Name: disodium 6-imino-5-[N'-[3-[4-[1-[4-[3-[N'-(2-imino-8-keto-6-sulfo-1-naphthyl)hydrazino]phenyl]sulfonyloxyphenyl]-1-methyl-ethyl]phenoxy]sulfonylphenyl]hydrazino]-4-keto-naphthalene-2-sulfonic acid Formula: C47H38N6Na2O14S4+2 MolecularWeight: 1085.07596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)NNC3=C4C(=CC(=CC4=O)S(=O)(=O)O)C=CC3=N)C5=CC=C(C=C5)OS(=O)(=O)C6=CC=CC(=C6)NNC7=C8C(=CC(=CC8=O)S(=O)(=O)O)C=CC7=N.[Na+].[Na+]

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)NNC3=C4C(=CC(=CC4=O)S(=O)(=O)O)C=CC3=N)C5=CC=C(C=C5)OS(=O)(=O)C6=CC=CC(=C6)NNC7=C8C(=CC(=CC8=O)S(=O)(=O)O)C=CC7=N.[Na+].[Na+]

InChI

InChI=1S/C47H38N6O14S4.2Na/c1-47(2,29-11-15-33(16-12-29)66-70(62,63)35-7-3-5-31(23-35)50-52-45-39(48)19-9-27-21-37(68(56,57)58)25-41(54)43(27)45)30-13-17-34(18-14-30)67-71(64,65)36-8-4-6-32(24-36)51-53-46-40(49)20-10-28-22-38(69(59,60)61)26-42(55)44(28)46;;/h3-26,48-53H,1-2H3,(H,56,57,58)(H,59,60,61);;/q;2*+1