2-[9-(2-carboxy-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)perylen-3-yl]-2-propan-2-yl-propanedioic acid

Systemtic Name: 2-[9-(2-carboxy-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)perylen-3-yl]-2-propan-2-yl-propanedioic acid Openeye Name: 2-[9-(1,1-dicarboxy-2-methyl-propyl)perylen-3-yl]-2-isopropyl-propanedioic acid CAS Name: 2-[9-(2-carboxy-1-hydroxy-3-methyl-1-oxobutan-2-yl)-3-perylenyl]-2-propan-2-ylpropanedioic acid IUPAC Name: 2-[9-(2-carboxy-1-hydroxy-3-methyl-1-oxobutan-2-yl)perylen-3-yl]-2-propan-2-ylpropanedioic acid Traditional Name: 2-[9-(1,1-dicarboxy-2-methyl-propyl)perylen-3-yl]-2-isopropyl-malonic acid Formula: C32H28O8 MolecularWeight: 540.55992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C2C3=C4C(=CC=C3)C(=CC=C4C5=C2C1=CC=C5)C(C(C)C)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)C(C1=CC=C2C3=C4C(=CC=C3)C(=CC=C4C5=C2C1=CC=C5)C(C(C)C)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O

InChI

InChI=1S/C32H28O8/c1-15(2)31(27(33)34,28(35)36)23-13-11-19-18-8-6-10-22-24(32(16(3)4,29(37)38)30(39)40)14-12-20(26(18)22)17-7-5-9-21(23)25(17)19/h5-16H,1-4H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)