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

Systemtic Name: 2-[(E)-1-(9-methoxy-10-oxidanylidene-anthracen-9-yl)-7-oxidanyl-hept-3-en-1,5-diyn-3-yl]benzoic acid Openeye Name: 2-[(E)-5-hydroxy-1-[2-(9-methoxy-10-oxo-9-anthryl)ethynyl]pent-1-en-3-ynyl]benzoic acid CAS Name: 2-[(E)-7-hydroxy-1-(9-methoxy-10-oxo-9-anthracenyl)hept-3-en-1,5-diyn-3-yl]benzoic acid IUPAC Name: 2-[(E)-7-hydroxy-1-(9-methoxy-10-oxoanthracen-9-yl)hept-3-en-1,5-diyn-3-yl]benzoic acid Traditional Name: 2-[(E)-5-hydroxy-1-[2-(10-keto-9-methoxy-9-anthryl)ethynyl]pent-1-en-3-ynyl]benzoic acid Formula: C29H20O5 MolecularWeight: 448.4661

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2=CC=CC=C2C(=O)C3=CC=CC=C31)C#CC(=CC#CCO)C4=CC=CC=C4C(=O)O

Isomeric SMILES

COC1(C2=CC=CC=C2C(=O)C3=CC=CC=C31)C#C/C(=C\C#CCO)/C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C29H20O5/c1-34-29(25-15-6-4-13-23(25)27(31)24-14-5-7-16-26(24)29)18-17-20(10-8-9-19-30)21-11-2-3-12-22(21)28(32)33/h2-7,10-16,30H,19H2,1H3,(H,32,33)/b20-10+