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

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

Systemtic Name:3-[2-[2-(8-phenyloctyl)phenyl]phenyl]oxirane-2-carboxylate
Openeye Name:3-[2-[2-(8-phenyloctyl)phenyl]phenyl]oxirane-2-carboxylate
CAS Name:3-[2-[2-(8-phenyloctyl)phenyl]phenyl]-2-oxiranecarboxylate
IUPAC Name:3-[2-[2-(8-phenyloctyl)phenyl]phenyl]oxirane-2-carboxylate
Traditional Name:3-[2-[2-(8-phenyloctyl)phenyl]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=C2C3=CC=CC=C3C4C(O4)C(=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C3=CC=CC=C3C4C(O4)C(=O)[O-]


InChI

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


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