methyl 4-[(E)-2-(4-oxidanyl-7-oxidanylidene-3-phenyl-5,6,8,8a-tetrahydrochromen-2-yl)ethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-(4-oxidanyl-7-oxidanylidene-3-phenyl-5,6,8,8a-tetrahydrochromen-2-yl)ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-(4-hydroxy-7-oxo-3-phenyl-5,6,8,8a-tetrahydrochromen-2-yl)vinyl]benzoate CAS Name: 4-[(E)-2-(4-hydroxy-7-oxo-3-phenyl-5,6,8,8a-tetrahydro-1-benzopyran-2-yl)ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(4-hydroxy-7-oxo-3-phenyl-5,6,8,8a-tetrahydrochromen-2-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(4-hydroxy-7-keto-3-phenyl-5,6,8,8a-tetrahydrochromen-2-yl)vinyl]benzoic acid methyl ester Formula: C25H22O5 MolecularWeight: 402.43918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC2=C(C(=C3CCC(=O)CC3O2)O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C2=C(C(=C3CCC(=O)CC3O2)O)C4=CC=CC=C4

InChI

InChI=1S/C25H22O5/c1-29-25(28)18-10-7-16(8-11-18)9-14-21-23(17-5-3-2-4-6-17)24(27)20-13-12-19(26)15-22(20)30-21/h2-11,14,22,27H,12-13,15H2,1H3/b14-9+