4-(5-tert-butylfuran-2-yl)-3-(4,4-dimethyl-3-oxidanylidene-pentyl)-7-iodanyl-isochromen-1-one

Systemtic Name: 4-(5-tert-butylfuran-2-yl)-3-(4,4-dimethyl-3-oxidanylidene-pentyl)-7-iodanyl-isochromen-1-one Openeye Name: 4-(5-tert-butyl-2-furyl)-3-(4,4-dimethyl-3-oxo-pentyl)-7-iodo-isochromen-1-one CAS Name: 4-(5-tert-butyl-2-furanyl)-3-(4,4-dimethyl-3-oxopentyl)-7-iodo-2-benzopyran-1-one IUPAC Name: 4-(5-tert-butylfuran-2-yl)-3-(4,4-dimethyl-3-oxopentyl)-7-iodoisochromen-1-one Traditional Name: 4-(5-tert-butyl-2-furyl)-7-iodo-3-(3-keto-4,4-dimethyl-pentyl)isocoumarin Formula: C24H27IO4 MolecularWeight: 506.37325

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(O1)C2=C(OC(=O)C3=C2C=CC(=C3)I)CCC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(O1)C2=C(OC(=O)C3=C2C=CC(=C3)I)CCC(=O)C(C)(C)C

InChI

InChI=1S/C24H27IO4/c1-23(2,3)19(26)11-9-18-21(17-10-12-20(28-17)24(4,5)6)15-8-7-14(25)13-16(15)22(27)29-18/h7-8,10,12-13H,9,11H2,1-6H3