decyl 4-[5-[(E)-2-cyano-3-decoxy-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: decyl 4-[5-[(E)-2-cyano-3-decoxy-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: decyl 4-[5-[(E)-2-cyano-3-decoxy-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-cyano-3-decoxy-3-oxoprop-1-enyl]-2-furanyl]benzoic acid decyl ester IUPAC Name: decyl 4-[5-[(E)-2-cyano-3-decoxy-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-cyano-3-decoxy-3-keto-prop-1-enyl]-2-furyl]benzoic acid decyl ester Formula: C35H49NO5 MolecularWeight: 563.76726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)OCCCCCCCCCC

InChI

InChI=1S/C35H49NO5/c1-3-5-7-9-11-13-15-17-25-39-34(37)30-21-19-29(20-22-30)33-24-23-32(41-33)27-31(28-36)35(38)40-26-18-16-14-12-10-8-6-4-2/h19-24,27H,3-18,25-26H2,1-2H3/b31-27+