3-acetyloxy-4-[(2-acetyloxy-3-carboxy-naphthalen-1-yl)methyl]naphthalene-2-carboxylic acid

Systemtic Name: 3-acetyloxy-4-[(2-acetyloxy-3-carboxy-naphthalen-1-yl)methyl]naphthalene-2-carboxylic acid Openeye Name: 3-acetoxy-4-[(2-acetoxy-3-carboxy-1-naphthyl)methyl]naphthalene-2-carboxylic acid CAS Name: 3-acetyloxy-4-[(2-acetyloxy-3-carboxy-1-naphthalenyl)methyl]-2-naphthalenecarboxylic acid IUPAC Name: 3-acetyloxy-4-[(2-acetyloxy-3-carboxynaphthalen-1-yl)methyl]naphthalene-2-carboxylic acid Traditional Name: 3-acetoxy-4-[(2-acetoxy-3-carboxy-1-naphthyl)methyl]-2-naphthoic acid Formula: C27H20O8 MolecularWeight: 472.4429

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=CC=CC=C2C=C1C(=O)O)CC3=C(C(=CC4=CC=CC=C43)C(=O)O)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C2=CC=CC=C2C=C1C(=O)O)CC3=C(C(=CC4=CC=CC=C43)C(=O)O)OC(=O)C

InChI

InChI=1S/C27H20O8/c1-14(28)34-24-20(18-9-5-3-7-16(18)11-22(24)26(30)31)13-21-19-10-6-4-8-17(19)12-23(27(32)33)25(21)35-15(2)29/h3-12H,13H2,1-2H3,(H,30,31)(H,32,33)