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2-[2-(chrysen-6-ylcarbamoyl)phenyl]benzoic acid

2-[2-(chrysen-6-ylcarbamoyl)phenyl]benzoic acid

Systemtic Name:2-[2-(chrysen-6-ylcarbamoyl)phenyl]benzoic acid
Openeye Name:2-[2-(chrysen-6-ylcarbamoyl)phenyl]benzoic acid
CAS Name:2-[2-[(6-chrysenylamino)-oxomethyl]phenyl]benzoic acid
IUPAC Name:2-[2-(chrysen-6-ylcarbamoyl)phenyl]benzoic acid
Traditional Name:2-[2-(chrysen-6-ylcarbamoyl)phenyl]benzoic acid
Formula: C32H21NO3
MolecularWeight: 467.51404
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)NC(=O)C5=CC=CC=C5C6=CC=CC=C6C(=O)O


Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)NC(=O)C5=CC=CC=C5C6=CC=CC=C6C(=O)O


InChI

InChI=1S/C32H21NO3/c34-31(27-15-7-4-12-23(27)24-13-5-8-16-28(24)32(35)36)33-30-19-29-21-10-2-1-9-20(21)17-18-25(29)22-11-3-6-14-26(22)30/h1-19H,(H,33,34)(H,35,36)


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