3-(3-decoxy-7-ethoxycarbonyl-9-oxidanylidene-xanthen-2-yl)propanoic acid

Systemtic Name: 3-(3-decoxy-7-ethoxycarbonyl-9-oxidanylidene-xanthen-2-yl)propanoic acid Openeye Name: 3-(3-decoxy-7-ethoxycarbonyl-9-oxo-xanthen-2-yl)propanoic acid CAS Name: 3-(3-decoxy-7-ethoxycarbonyl-9-oxo-2-xanthenyl)propanoic acid IUPAC Name: 3-(3-decoxy-7-ethoxycarbonyl-9-oxoxanthen-2-yl)propanoic acid Traditional Name: 3-(7-carbethoxy-3-decoxy-9-keto-xanthen-2-yl)propionic acid Formula: C29H36O7 MolecularWeight: 496.59194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C2C(=C1)OC3=C(C2=O)C=C(C=C3)C(=O)OCC)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C2C(=C1)OC3=C(C2=O)C=C(C=C3)C(=O)OCC)CCC(=O)O

InChI

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