potassium 4-[[3-[4-oxidanidyl-4-oxidanylidene-1-(trimethylazaniumyl)butan-2-yl]oxycarbonyl-2-oxidanyl-naphthalen-1-yl]methyl]-3-oxidanyl-naphthalene-2-carboxylate

Systemtic Name: potassium 4-[[3-[4-oxidanidyl-4-oxidanylidene-1-(trimethylazaniumyl)butan-2-yl]oxycarbonyl-2-oxidanyl-naphthalen-1-yl]methyl]-3-oxidanyl-naphthalene-2-carboxylate Openeye Name: potassium 3-hydroxy-4-[[2-hydroxy-3-[3-oxido-3-oxo-1-[(trimethylammonio)methyl]propoxy]carbonyl-1-naphthyl]methyl]naphthalene-2-carboxylate CAS Name: potassium 3-hydroxy-4-[[2-hydroxy-3-[[4-oxido-4-oxo-1-(trimethylammonio)butan-2-yl]oxy-oxomethyl]-1-naphthalenyl]methyl]-2-naphthalenecarboxylate IUPAC Name: potassium 3-hydroxy-4-[[2-hydroxy-3-[4-oxido-4-oxo-1-(trimethylazaniumyl)butan-2-yl]oxycarbonylnaphthalen-1-yl]methyl]naphthalene-2-carboxylate Traditional Name: potassium 3-hydroxy-4-[[2-hydroxy-3-[3-keto-3-oxido-1-[(trimethylammonio)methyl]propoxy]carbonyl-1-naphthyl]methyl]-2-naphthoate Formula: C30H28KNO8 MolecularWeight: 569.64352

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])OC(=O)C1=CC2=CC=CC=C2C(=C1O)CC3=C(C(=CC4=CC=CC=C43)C(=O)[O-])O.[K+]

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)[O-])OC(=O)C1=CC2=CC=CC=C2C(=C1O)CC3=C(C(=CC4=CC=CC=C43)C(=O)[O-])O.[K+]

InChI

InChI=1S/C30H29NO8.K/c1-31(2,3)16-19(14-26(32)33)39-30(38)25-13-18-9-5-7-11-21(18)23(28(25)35)15-22-20-10-6-4-8-17(20)12-24(27(22)34)29(36)37;/h4-13,19H,14-16H2,1-3H3,(H3-,32,33,34,35,36,37,38);/q;+1/p-1