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

Systemtic Name: 2-[(E)-7-methoxy-1-(9-methoxy-10-oxidanylidene-anthracen-9-yl)hept-3-en-1,5-diyn-3-yl]benzoic acid Openeye Name: 2-[(E)-5-methoxy-1-[2-(9-methoxy-10-oxo-9-anthryl)ethynyl]pent-1-en-3-ynyl]benzoic acid CAS Name: 2-[(E)-7-methoxy-1-(9-methoxy-10-oxo-9-anthracenyl)hept-3-en-1,5-diyn-3-yl]benzoic acid IUPAC Name: 2-[(E)-7-methoxy-1-(9-methoxy-10-oxoanthracen-9-yl)hept-3-en-1,5-diyn-3-yl]benzoic acid Traditional Name: 2-[(E)-1-[2-(10-keto-9-methoxy-9-anthryl)ethynyl]-5-methoxy-pent-1-en-3-ynyl]benzoic acid Formula: C30H22O5 MolecularWeight: 462.49268

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C30H22O5/c1-34-20-10-9-11-21(22-12-3-4-13-23(22)29(32)33)18-19-30(35-2)26-16-7-5-14-24(26)28(31)25-15-6-8-17-27(25)30/h3-8,11-17H,20H2,1-2H3,(H,32,33)/b21-11+