methyl (E)-4-[5-methoxy-2-methyl-9,10-bis(oxidanylidene)anthracen-1-yl]but-2-enoate

Systemtic Name: methyl (E)-4-[5-methoxy-2-methyl-9,10-bis(oxidanylidene)anthracen-1-yl]but-2-enoate Openeye Name: methyl (E)-4-(5-methoxy-2-methyl-9,10-dioxo-1-anthryl)but-2-enoate CAS Name: (E)-4-(5-methoxy-2-methyl-9,10-dioxo-1-anthracenyl)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(5-methoxy-2-methyl-9,10-dioxoanthracen-1-yl)but-2-enoate Traditional Name: (E)-4-(9,10-diketo-5-methoxy-2-methyl-1-anthryl)but-2-enoic acid methyl ester Formula: C21H18O5 MolecularWeight: 350.36462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC=C3OC)CC=CC(=O)OC

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC=C3OC)C/C=C/C(=O)OC

InChI

InChI=1S/C21H18O5/c1-12-10-11-15-18(13(12)6-5-9-17(22)26-3)20(23)14-7-4-8-16(25-2)19(14)21(15)24/h4-5,7-11H,6H2,1-3H3/b9-5+