4-hexadecoxy-3-(3-oxidanylidene-1-phenyl-butyl)chromen-2-one

Systemtic Name: 4-hexadecoxy-3-(3-oxidanylidene-1-phenyl-butyl)chromen-2-one Openeye Name: 4-hexadecoxy-3-(3-oxo-1-phenyl-butyl)chromen-2-one CAS Name: 4-hexadecoxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one IUPAC Name: 4-hexadecoxy-3-(3-oxo-1-phenylbutyl)chromen-2-one Traditional Name: 4-cetyloxy-3-(3-keto-1-phenyl-butyl)coumarin Formula: C35H48O4 MolecularWeight: 532.75322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C(=O)OC2=CC=CC=C21)C(CC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C(=O)OC2=CC=CC=C21)C(CC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C35H48O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-26-38-34-30-24-19-20-25-32(30)39-35(37)33(34)31(27-28(2)36)29-22-17-16-18-23-29/h16-20,22-25,31H,3-15,21,26-27H2,1-2H3