1-methyl-6-pentoxycarbonyl-7-phenyl-nonane-1,2,3,4,5-pentacarboxylic acid

Systemtic Name: 1-methyl-6-pentoxycarbonyl-7-phenyl-nonane-1,2,3,4,5-pentacarboxylic acid Openeye Name: 1-methyl-6-pentoxycarbonyl-7-phenyl-nonane-1,2,3,4,5-pentacarboxylic acid CAS Name: 1-methyl-6-[oxo(pentoxy)methyl]-7-phenylnonane-1,2,3,4,5-pentacarboxylic acid IUPAC Name: 1-methyl-6-pentoxycarbonyl-7-phenylnonane-1,2,3,4,5-pentacarboxylic acid Traditional Name: 6-amoxycarbonyl-1-methyl-7-phenyl-nonane-1,2,3,4,5-pentacarboxylic acid Formula: C27H36O12 MolecularWeight: 552.56754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(C(CC)C1=CC=CC=C1)C(C(C(C(C(C)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCOC(=O)C(C(CC)C1=CC=CC=C1)C(C(C(C(C(C)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C27H36O12/c1-4-6-10-13-39-27(38)18(16(5-2)15-11-8-7-9-12-15)20(25(34)35)21(26(36)37)19(24(32)33)17(23(30)31)14(3)22(28)29/h7-9,11-12,14,16-21H,4-6,10,13H2,1-3H3,(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)