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perylene-1-carboxylic acid

perylene-1-carboxylic acid

Systemtic Name:perylene-1-carboxylic acid
Openeye Name:perylene-1-carboxylic acid
CAS Name:1-perylenecarboxylic acid
IUPAC Name:perylene-1-carboxylic acid
Traditional Name:perylene-1-carboxylic acid
Formula: C21H12O2
MolecularWeight: 296.31878
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=C(C=C5)C(=O)O)C3=CC=C2


Isomeric SMILES

C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=C(C=C5)C(=O)O)C3=CC=C2


InChI

InChI=1S/C21H12O2/c22-21(23)17-11-10-13-6-2-8-15-14-7-1-4-12-5-3-9-16(18(12)14)20(17)19(13)15/h1-11H,(H,22,23)


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