8-iodanyl-4-methyl-7-phenacyloxy-3-(phenylmethyl)chromen-2-one

Systemtic Name: 8-iodanyl-4-methyl-7-phenacyloxy-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-8-iodo-4-methyl-7-phenacyloxy-chromen-2-one CAS Name: 8-iodo-4-methyl-7-phenacyloxy-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-8-iodo-4-methyl-7-phenacyloxychromen-2-one Traditional Name: 3-benzyl-8-iodo-4-methyl-7-phenacyloxy-coumarin Formula: C25H19IO4 MolecularWeight: 510.32043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2I)OCC(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2I)OCC(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H19IO4/c1-16-19-12-13-22(29-15-21(27)18-10-6-3-7-11-18)23(26)24(19)30-25(28)20(16)14-17-8-4-2-5-9-17/h2-13H,14-15H2,1H3