3-hexyl-4,8-dimethyl-7-phenacyloxy-chromen-2-one

Systemtic Name: 3-hexyl-4,8-dimethyl-7-phenacyloxy-chromen-2-one Openeye Name: 3-hexyl-4,8-dimethyl-7-phenacyloxy-chromen-2-one CAS Name: 3-hexyl-4,8-dimethyl-7-phenacyloxy-1-benzopyran-2-one IUPAC Name: 3-hexyl-4,8-dimethyl-7-phenacyloxychromen-2-one Traditional Name: 3-hexyl-4,8-dimethyl-7-phenacyloxy-coumarin Formula: C25H28O4 MolecularWeight: 392.48742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C(=C(C=C2)OCC(=O)C3=CC=CC=C3)C)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C(=C(C=C2)OCC(=O)C3=CC=CC=C3)C)OC1=O)C

InChI

InChI=1S/C25H28O4/c1-4-5-6-10-13-21-17(2)20-14-15-23(18(3)24(20)29-25(21)27)28-16-22(26)19-11-8-7-9-12-19/h7-9,11-12,14-15H,4-6,10,13,16H2,1-3H3