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coronene-1,2,7,8-tetracarboxylic acid

coronene-1,2,7,8-tetracarboxylic acid

Systemtic Name:coronene-1,2,7,8-tetracarboxylic acid
Openeye Name:coronene-1,2,7,8-tetracarboxylic acid
CAS Name:coronene-1,2,7,8-tetracarboxylic acid
IUPAC Name:coronene-1,2,7,8-tetracarboxylic acid
Traditional Name:coronene-1,2,7,8-tetracarboxylic acid
Formula: C28H12O8
MolecularWeight: 476.39008
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C4=C1C=CC5=C4C6=C(C=CC7=C6C3=C(C=C7)C(=C2C(=O)O)C(=O)O)C(=C5C(=O)O)C(=O)O


Isomeric SMILES

C1=CC2=C3C4=C1C=CC5=C4C6=C(C=CC7=C6C3=C(C=C7)C(=C2C(=O)O)C(=O)O)C(=C5C(=O)O)C(=O)O


InChI

InChI=1S/C28H12O8/c29-25(30)21-11-5-1-9-2-6-12-18-15(9)17(11)19-13(22(21)26(31)32)7-3-10-4-8-14(20(18)16(10)19)24(28(35)36)23(12)27(33)34/h1-8H,(H,29,30)(H,31,32)(H,33,34)(H,35,36)


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