3-(3-decoxy-5-ethoxycarbonyl-9-oxidanylidene-xanthen-4-yl)propanoic acid

Systemtic Name: 3-(3-decoxy-5-ethoxycarbonyl-9-oxidanylidene-xanthen-4-yl)propanoic acid Openeye Name: 3-(3-decoxy-5-ethoxycarbonyl-9-oxo-xanthen-4-yl)propanoic acid CAS Name: 3-(3-decoxy-5-ethoxycarbonyl-9-oxo-4-xanthenyl)propanoic acid IUPAC Name: 3-(3-decoxy-5-ethoxycarbonyl-9-oxoxanthen-4-yl)propanoic acid Traditional Name: 3-(5-carbethoxy-3-decoxy-9-keto-xanthen-4-yl)propionic acid Formula: C29H36O7 MolecularWeight: 496.59194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C2=C(C=C1)C(=O)C3=C(O2)C(=CC=C3)C(=O)OCC)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=C(C2=C(C=C1)C(=O)C3=C(O2)C(=CC=C3)C(=O)OCC)CCC(=O)O

InChI

InChI=1S/C29H36O7/c1-3-5-6-7-8-9-10-11-19-35-24-17-15-22-26(32)21-13-12-14-23(29(33)34-4-2)28(21)36-27(22)20(24)16-18-25(30)31/h12-15,17H,3-11,16,18-19H2,1-2H3,(H,30,31)