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

Systemtic Name: 3-[4-[(3-acetyloxycarbonyl-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalen-2-yl]carbonyloxy-4-(trimethylazaniumyl)butanoate Openeye Name: 3-[4-[(3-acetoxycarbonyl-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carbonyl]oxy-4-(trimethylammonio)butanoate CAS Name: 3-[[4-[[3-[acetyloxy(oxo)methyl]-2-hydroxy-1-naphthalenyl]methyl]-3-hydroxy-2-naphthalenyl]-oxomethoxy]-4-(trimethylammonio)butanoate IUPAC Name: 3-[4-[(3-acetyloxycarbonyl-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carbonyl]oxy-4-(trimethylazaniumyl)butanoate Traditional Name: 3-[4-[(3-acetoxycarbonyl-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoyl]oxy-4-(trimethylammonio)butyrate Formula: C32H31NO9 MolecularWeight: 573.58984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=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

CC(=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/C32H31NO9/c1-18(34)41-31(39)26-13-19-9-5-7-11-22(19)24(29(26)37)16-25-23-12-8-6-10-20(23)14-27(30(25)38)32(40)42-21(15-28(35)36)17-33(2,3)4/h5-14,21H,15-17H2,1-4H3,(H2-,35,36,37,38,39,40)