3-[7-methoxycarbonyl-3-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]-9-oxidanylidene-xanthen-4-yl]propanoic acid

Systemtic Name: 3-[7-methoxycarbonyl-3-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]-9-oxidanylidene-xanthen-4-yl]propanoic acid Openeye Name: 3-[7-methoxycarbonyl-3-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]-9-oxo-xanthen-4-yl]propanoic acid CAS Name: 3-[7-methoxycarbonyl-3-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]-9-oxo-4-xanthenyl]propanoic acid IUPAC Name: 3-[7-methoxycarbonyl-3-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]-9-oxoxanthen-4-yl]propanoic acid Traditional Name: 3-[7-carbomethoxy-9-keto-3-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]xanthen-4-yl]propionic acid Formula: C31H30O8 MolecularWeight: 530.5651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CCCCCOC2=C(C3=C(C=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/CCCCOC2=C(C3=C(C=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)CCC(=O)O

InChI

InChI=1S/C31H30O8/c1-36-22-11-8-20(9-12-22)7-5-3-4-6-18-38-26-16-13-24-29(34)25-19-21(31(35)37-2)10-15-27(25)39-30(24)23(26)14-17-28(32)33/h5,7-13,15-16,19H,3-4,6,14,17-18H2,1-2H3,(H,32,33)/b7-5+