3-[3-oxidanyl-4-[(2-oxidanyl-3-propanoyloxycarbonyl-naphthalen-1-yl)methyl]naphthalen-2-yl]carbonyloxy-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-[3-oxidanyl-4-[(2-oxidanyl-3-propanoyloxycarbonyl-naphthalen-1-yl)methyl]naphthalen-2-yl]carbonyloxy-4-(trimethylazaniumyl)butanoate Openeye Name: 3-[3-hydroxy-4-[(2-hydroxy-3-propanoyloxycarbonyl-1-naphthyl)methyl]naphthalene-2-carbonyl]oxy-4-(trimethylammonio)butanoate CAS Name: 3-[[3-hydroxy-4-[[2-hydroxy-3-[oxo(1-oxopropoxy)methyl]-1-naphthalenyl]methyl]-2-naphthalenyl]-oxomethoxy]-4-(trimethylammonio)butanoate IUPAC Name: 3-[3-hydroxy-4-[(2-hydroxy-3-propanoyloxycarbonylnaphthalen-1-yl)methyl]naphthalene-2-carbonyl]oxy-4-(trimethylazaniumyl)butanoate Traditional Name: 3-[3-hydroxy-4-[(2-hydroxy-3-propionyloxycarbonyl-1-naphthyl)methyl]-2-naphthoyl]oxy-4-(trimethylammonio)butyrate Formula: C33H33NO9 MolecularWeight: 587.61642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H33NO9/c1-5-29(37)43-33(41)27-15-20-11-7-9-13-23(20)25(31(27)39)17-24-22-12-8-6-10-19(22)14-26(30(24)38)32(40)42-21(16-28(35)36)18-34(2,3)4/h6-15,21H,5,16-18H2,1-4H3,(H2-,35,36,38,39,40,41)