2,3-bis(fluoranyl)-4-nonoxy-4-(2-nonylphenyl)cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 2,3-bis(fluoranyl)-4-nonoxy-4-(2-nonylphenyl)cyclohexa-2,5-diene-1-carboxylate Openeye Name: 2,3-difluoro-4-nonoxy-4-(2-nonylphenyl)cyclohexa-2,5-diene-1-carboxylate CAS Name: 2,3-difluoro-4-nonoxy-4-(2-nonylphenyl)-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 2,3-difluoro-4-nonoxy-4-(2-nonylphenyl)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 2,3-difluoro-4-nonoxy-4-(2-nonylphenyl)cyclohexa-2,5-diene-1-carboxylate Formula: C31H45F2O3- MolecularWeight: 503.684006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1C2(C=CC(C(=C2F)F)C(=O)[O-])OCCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1C2(C=CC(C(=C2F)F)C(=O)[O-])OCCCCCCCCC

InChI

InChI=1S/C31H46F2O3/c1-3-5-7-9-11-13-15-19-25-20-16-17-21-27(25)31(36-24-18-14-12-10-8-6-4-2)23-22-26(30(34)35)28(32)29(31)33/h16-17,20-23,26H,3-15,18-19,24H2,1-2H3,(H,34,35)/p-1