2-[2-[2-ethoxy-2,2-bis(2-ethylhexoxy)ethoxy]ethoxycarbonyl]benzoic acid

Systemtic Name: 2-[2-[2-ethoxy-2,2-bis(2-ethylhexoxy)ethoxy]ethoxycarbonyl]benzoic acid Openeye Name: 2-[2-[2-ethoxy-2,2-bis(2-ethylhexoxy)ethoxy]ethoxycarbonyl]benzoic acid CAS Name: 2-[2-[2-ethoxy-2,2-bis(2-ethylhexoxy)ethoxy]ethoxy-oxomethyl]benzoic acid IUPAC Name: 2-[2-[2-ethoxy-2,2-bis(2-ethylhexoxy)ethoxy]ethoxycarbonyl]benzoic acid Traditional Name: 2-[2-[2-ethoxy-2,2-bis(2-ethylhexoxy)ethoxy]ethoxycarbonyl]benzoic acid Formula: C30H50O8 MolecularWeight: 538.7132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(COCCOC(=O)C1=CC=CC=C1C(=O)O)(OCC)OCC(CC)CCCC

Isomeric SMILES

CCCCC(CC)COC(COCCOC(=O)C1=CC=CC=C1C(=O)O)(OCC)OCC(CC)CCCC

InChI

InChI=1S/C30H50O8/c1-6-11-15-24(8-3)21-37-30(36-10-5,38-22-25(9-4)16-12-7-2)23-34-19-20-35-29(33)27-18-14-13-17-26(27)28(31)32/h13-14,17-18,24-25H,6-12,15-16,19-23H2,1-5H3,(H,31,32)