trisodium 8-[2-[(2Z)-2-[(4-acetyloxyphenyl)methylidene]hydrazinyl]-2-oxidanylidene-ethoxy]pyrene-1,3,6-trisulfonate

Systemtic Name: trisodium 8-[2-[(2Z)-2-[(4-acetyloxyphenyl)methylidene]hydrazinyl]-2-oxidanylidene-ethoxy]pyrene-1,3,6-trisulfonate Openeye Name: trisodium 8-[2-[(2Z)-2-[(4-acetoxyphenyl)methylene]hydrazino]-2-oxo-ethoxy]pyrene-1,3,6-trisulfonate CAS Name: trisodium 8-[2-[(2Z)-2-[(4-acetyloxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]pyrene-1,3,6-trisulfonate IUPAC Name: trisodium 8-[2-[(2Z)-2-[(4-acetyloxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]pyrene-1,3,6-trisulfonate Traditional Name: trisodium 8-[2-[(N'Z)-N'-(4-acetoxybenzylidene)hydrazino]-2-keto-ethoxy]pyrene-1,3,6-trisulfonate Formula: C27H17N2Na3O13S3 MolecularWeight: 742.59379

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C=NNC(=O)COC2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)/C=N\NC(=O)COC2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C27H20N2O13S3.3Na/c1-14(30)42-16-4-2-15(3-5-16)12-28-29-25(31)13-41-21-10-22(43(32,33)34)18-8-9-20-24(45(38,39)40)11-23(44(35,36)37)19-7-6-17(21)26(18)27(19)20;;;/h2-12H,13H2,1H3,(H,29,31)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3/b28-12-;;;