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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CCCCCOC2=C(C=C3C(=C2)OC4=C(C3=O)C=CC=C4CCC(=O)O)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/CCCCOC2=C(C=C3C(=C2)OC4=C(C3=O)C=CC=C4CCC(=O)O)C(=O)OC

InChI

InChI=1S/C31H30O8/c1-36-22-14-11-20(12-15-22)8-5-3-4-6-17-38-26-19-27-24(18-25(26)31(35)37-2)29(34)23-10-7-9-21(30(23)39-27)13-16-28(32)33/h5,7-12,14-15,18-19H,3-4,6,13,16-17H2,1-2H3,(H,32,33)/b8-5+