2-[2,2-bis(7-methyloctoxy)ethoxycarbonyl]benzoic acid

Systemtic Name: 2-[2,2-bis(7-methyloctoxy)ethoxycarbonyl]benzoic acid Openeye Name: 2-[2,2-bis(7-methyloctoxy)ethoxycarbonyl]benzoic acid CAS Name: 2-[2,2-bis(7-methyloctoxy)ethoxy-oxomethyl]benzoic acid IUPAC Name: 2-[2,2-bis(7-methyloctoxy)ethoxycarbonyl]benzoic acid Traditional Name: 2-[2,2-bis(7-methyloctoxy)ethoxycarbonyl]benzoic acid Formula: C28H46O6 MolecularWeight: 478.66124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCOC(COC(=O)C1=CC=CC=C1C(=O)O)OCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCOC(COC(=O)C1=CC=CC=C1C(=O)O)OCCCCCCC(C)C

InChI

InChI=1S/C28H46O6/c1-22(2)15-9-5-7-13-19-32-26(33-20-14-8-6-10-16-23(3)4)21-34-28(31)25-18-12-11-17-24(25)27(29)30/h11-12,17-18,22-23,26H,5-10,13-16,19-21H2,1-4H3,(H,29,30)