[2-oxidanylidene-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-yl] (E)-octadec-9-enoate

Systemtic Name: [2-oxidanylidene-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-yl] (E)-octadec-9-enoate Openeye Name: [2-oxo-3-(3-oxo-1-phenyl-butyl)chromen-4-yl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-oxo-3-(3-oxo-1-phenylbutyl)-1-benzopyran-4-yl] ester IUPAC Name: [2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-keto-3-(3-keto-1-phenyl-butyl)chromen-4-yl] ester Formula: C37H48O5 MolecularWeight: 572.77402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1=C(C(=O)OC2=CC=CC=C21)C(CC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC1=C(C(=O)OC2=CC=CC=C21)C(CC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C37H48O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-34(39)42-36-31-25-21-22-26-33(31)41-37(40)35(36)32(28-29(2)38)30-23-18-17-19-24-30/h10-11,17-19,21-26,32H,3-9,12-16,20,27-28H2,1-2H3/b11-10+