3-coronen-1-yl-2-methyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-coronen-1-yl-2-methyl-3-oxidanylidene-propanoic acid Openeye Name: 3-coronen-1-yl-2-methyl-3-oxo-propanoic acid CAS Name: 3-(1-coronenyl)-2-methyl-3-oxopropanoic acid IUPAC Name: 3-coronen-1-yl-2-methyl-3-oxopropanoic acid Traditional Name: 3-coronen-1-yl-3-keto-2-methyl-propionic acid Formula: C28H16O3 MolecularWeight: 400.42484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C2C=CC3=C4C2=C5C(=C1)C=CC6=C5C7=C(C=CC(=C74)C=C3)C=C6)C(=O)O

Isomeric SMILES

CC(C(=O)C1=C2C=CC3=C4C2=C5C(=C1)C=CC6=C5C7=C(C=CC(=C74)C=C3)C=C6)C(=O)O

InChI

InChI=1S/C28H16O3/c1-13(28(30)31)27(29)20-12-18-9-8-16-5-3-14-2-4-15-6-7-17-10-11-19(20)26-24(17)22(15)21(14)23(16)25(18)26/h2-13H,1H3,(H,30,31)