methyl 2-[(E)-7-methoxy-1-(9-methoxy-10-oxidanylidene-anthracen-9-yl)hept-3-en-1,5-diyn-3-yl]benzoate

Systemtic Name: methyl 2-[(E)-7-methoxy-1-(9-methoxy-10-oxidanylidene-anthracen-9-yl)hept-3-en-1,5-diyn-3-yl]benzoate Openeye Name: methyl 2-[(E)-5-methoxy-1-[2-(9-methoxy-10-oxo-9-anthryl)ethynyl]pent-1-en-3-ynyl]benzoate CAS Name: 2-[(E)-7-methoxy-1-(9-methoxy-10-oxo-9-anthracenyl)hept-3-en-1,5-diyn-3-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[(E)-7-methoxy-1-(9-methoxy-10-oxoanthracen-9-yl)hept-3-en-1,5-diyn-3-yl]benzoate Traditional Name: 2-[(E)-1-[2-(10-keto-9-methoxy-9-anthryl)ethynyl]-5-methoxy-pent-1-en-3-ynyl]benzoic acid methyl ester Formula: C31H24O5 MolecularWeight: 476.51926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC#CC=C(C#CC1(C2=CC=CC=C2C(=O)C3=CC=CC=C31)OC)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

COCC#C/C=C(\C#CC1(C2=CC=CC=C2C(=O)C3=CC=CC=C31)OC)/C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C31H24O5/c1-34-21-11-10-12-22(23-13-4-5-14-24(23)30(33)35-2)19-20-31(36-3)27-17-8-6-15-25(27)29(32)26-16-7-9-18-28(26)31/h4-9,12-18H,21H2,1-3H3/b22-12+