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2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxylate

2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxylate

Systemtic Name:2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxylate
Openeye Name:2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxylate
CAS Name:2-phenyl-3-[2-(8-phenyloctyl)phenyl]-2-oxiranecarboxylate
IUPAC Name:2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxylate
Traditional Name:2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxylate
Formula: C29H31O3-
MolecularWeight: 427.55464
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C3C(O3)(C4=CC=CC=C4)C(=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C3C(O3)(C4=CC=CC=C4)C(=O)[O-]


InChI

InChI=1S/C29H32O3/c30-28(31)29(25-20-11-6-12-21-25)27(32-29)26-22-14-13-19-24(26)18-10-4-2-1-3-7-15-23-16-8-5-9-17-23/h5-6,8-9,11-14,16-17,19-22,27H,1-4,7,10,15,18H2,(H,30,31)/p-1


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