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coronene-1-carboxylic acid

coronene-1-carboxylic acid

Systemtic Name:coronene-1-carboxylic acid
Openeye Name:coronene-1-carboxylic acid
CAS Name:1-coronenecarboxylic acid
IUPAC Name:coronene-1-carboxylic acid
Traditional Name:coronene-1-carboxylic acid
Formula: C25H12O2
MolecularWeight: 344.36158
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C4=C1C=CC5=C4C6=C7C3=C(C=C2)C=CC7=C(C=C6C=C5)C(=O)O


Isomeric SMILES

C1=CC2=C3C4=C1C=CC5=C4C6=C7C3=C(C=C2)C=CC7=C(C=C6C=C5)C(=O)O


InChI

InChI=1S/C25H12O2/c26-25(27)18-11-16-8-7-14-4-2-12-1-3-13-5-6-15-9-10-17(18)24-22(15)20(13)19(12)21(14)23(16)24/h1-11H,(H,26,27)


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