1-methyl-4-octa-1,3,5,7-tetraynoxycarbonyl-5-phenyl-heptane-1,2,3-tricarboxylic acid

Systemtic Name: 1-methyl-4-octa-1,3,5,7-tetraynoxycarbonyl-5-phenyl-heptane-1,2,3-tricarboxylic acid Openeye Name: 1-methyl-4-octa-1,3,5,7-tetraynoxycarbonyl-5-phenyl-heptane-1,2,3-tricarboxylic acid CAS Name: 1-methyl-4-[octa-1,3,5,7-tetraynoxy(oxo)methyl]-5-phenylheptane-1,2,3-tricarboxylic acid IUPAC Name: 1-methyl-4-octa-1,3,5,7-tetraynoxycarbonyl-5-phenylheptane-1,2,3-tricarboxylic acid Traditional Name: 1-methyl-4-octa-1,3,5,7-tetraynoxycarbonyl-5-phenyl-heptane-1,2,3-tricarboxylic acid Formula: C26H22O8 MolecularWeight: 462.44808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(C(C(C(C)C(=O)O)C(=O)O)C(=O)O)C(=O)OC#CC#CC#CC#C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(C(C(C(C)C(=O)O)C(=O)O)C(=O)O)C(=O)OC#CC#CC#CC#C

InChI

InChI=1S/C26H22O8/c1-4-6-7-8-9-13-16-34-26(33)21(19(5-2)18-14-11-10-12-15-18)22(25(31)32)20(24(29)30)17(3)23(27)28/h1,10-12,14-15,17,19-22H,5H2,2-3H3,(H,27,28)(H,29,30)(H,31,32)