O3-octan-2-yl O1-(2-phenylphenyl) 4-decoxy-2-fluoranyl-benzene-1,3-dicarboxylate

Systemtic Name: O3-octan-2-yl O1-(2-phenylphenyl) 4-decoxy-2-fluoranyl-benzene-1,3-dicarboxylate Openeye Name: O3-(1-methylheptyl) O1-(2-phenylphenyl) 4-decoxy-2-fluoro-benzene-1,3-dicarboxylate CAS Name: 4-decoxy-2-fluorobenzene-1,3-dicarboxylic acid O3-octan-2-yl ester O1-(2-phenylphenyl) ester IUPAC Name: 3-O-octan-2-yl 1-O-(2-phenylphenyl) 4-decoxy-2-fluorobenzene-1,3-dicarboxylate Traditional Name: 4-decoxy-2-fluoro-benzene-1,3-dicarboxylic acid O3-(1-methylheptyl) ester O1-(2-phenylphenyl) ester Formula: C38H49FO5 MolecularWeight: 604.791063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=CC=C2C3=CC=CC=C3)F)C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=CC=C2C3=CC=CC=C3)F)C(=O)OC(C)CCCCCC

InChI

InChI=1S/C38H49FO5/c1-4-6-8-10-11-12-13-20-28-42-34-27-26-32(36(39)35(34)38(41)43-29(3)21-15-9-7-5-2)37(40)44-33-25-19-18-24-31(33)30-22-16-14-17-23-30/h14,16-19,22-27,29H,4-13,15,20-21,28H2,1-3H3