[(2R)-2-acetyloxy-4-[3-carboxy-1-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]naphthalen-2-yl]oxy-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [(2R)-2-acetyloxy-4-[3-carboxy-1-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]naphthalen-2-yl]oxy-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [(2R)-2-acetoxy-4-[[3-carboxy-1-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-2-naphthyl]oxy]-4-oxo-butyl]-trimethyl-ammonium CAS Name: [(2R)-2-acetyloxy-4-[[3-carboxy-1-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-2-naphthalenyl]oxy]-4-oxobutyl]-trimethylammonium IUPAC Name: [(2R)-2-acetyloxy-4-[3-carboxy-1-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxy-4-oxobutyl]-trimethylazanium Traditional Name: [(2R)-2-acetoxy-4-[3-carboxy-1-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-2-naphthoxy]-4-keto-butyl]-trimethyl-ammonium Formula: C32H32NO9+ MolecularWeight: 574.59778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(=O)OC1=C(C2=CC=CC=C2C=C1C(=O)O)CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)C[N+](C)(C)C

Isomeric SMILES

CC(=O)O[C@H](CC(=O)OC1=C(C2=CC=CC=C2C=C1C(=O)O)CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)C[N+](C)(C)C

InChI

InChI=1S/C32H31NO9/c1-18(34)41-21(17-33(2,3)4)15-28(35)42-30-25(23-12-8-6-10-20(23)14-27(30)32(39)40)16-24-22-11-7-5-9-19(22)13-26(29(24)36)31(37)38/h5-14,21H,15-17H2,1-4H3,(H2-,36,37,38,39,40)/p+1/t21-/m1/s1