tert-butyl (E)-3-[7-methyl-7-oxidanyl-6,8-bis(oxidanylidene)isochromen-3-yl]prop-2-enoate

Systemtic Name: tert-butyl (E)-3-[7-methyl-7-oxidanyl-6,8-bis(oxidanylidene)isochromen-3-yl]prop-2-enoate Openeye Name: tert-butyl (E)-3-(7-hydroxy-7-methyl-6,8-dioxo-isochromen-3-yl)prop-2-enoate CAS Name: (E)-3-(7-hydroxy-7-methyl-6,8-dioxo-2-benzopyran-3-yl)-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-(7-hydroxy-7-methyl-6,8-dioxoisochromen-3-yl)prop-2-enoate Traditional Name: (E)-3-(7-hydroxy-6,8-diketo-7-methyl-isochromen-3-yl)acrylic acid tert-butyl ester Formula: C17H18O6 MolecularWeight: 318.32122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(OC=C2C1=O)C=CC(=O)OC(C)(C)C)O

Isomeric SMILES

CC1(C(=O)C=C2C=C(OC=C2C1=O)/C=C/C(=O)OC(C)(C)C)O

InChI

InChI=1S/C17H18O6/c1-16(2,3)23-14(19)6-5-11-7-10-8-13(18)17(4,21)15(20)12(10)9-22-11/h5-9,21H,1-4H3/b6-5+