3-(3-decoxy-7-ethoxycarbonyl-9-oxidanylidene-xanthen-4-yl)propanoic acid

Systemtic Name: 3-(3-decoxy-7-ethoxycarbonyl-9-oxidanylidene-xanthen-4-yl)propanoic acid Openeye Name: 3-(3-decoxy-7-ethoxycarbonyl-9-oxo-xanthen-4-yl)propanoic acid CAS Name: 3-(3-decoxy-7-ethoxycarbonyl-9-oxo-4-xanthenyl)propanoic acid IUPAC Name: 3-(3-decoxy-7-ethoxycarbonyl-9-oxoxanthen-4-yl)propanoic acid Traditional Name: 3-(7-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/c1-3-5-6-7-8-9-10-11-18-35-24-16-13-22-27(32)23-19-20(29(33)34-4-2)12-15-25(23)36-28(22)21(24)14-17-26(30)31/h12-13,15-16,19H,3-11,14,17-18H2,1-2H3,(H,30,31)