3,4-bis(6-ethoxycarbonylhenicosan-3-yl)phthalate

Systemtic Name: 3,4-bis(6-ethoxycarbonylhenicosan-3-yl)phthalate Openeye Name: 3,4-bis(4-ethoxycarbonyl-1-ethyl-nonadecyl)phthalate CAS Name: 3,4-bis(6-ethoxycarbonylheneicosan-3-yl)phthalate IUPAC Name: 3,4-bis(6-ethoxycarbonylhenicosan-3-yl)phthalate Traditional Name: 3,4-bis(4-carbethoxy-1-ethyl-nonadecyl)phthalate Formula: C56H96O8-2 MolecularWeight: 897.35664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCC(CC)C1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])C(CC)CCC(CCCCCCCCCCCCCCC)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CCC(CC)C1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])C(CC)CCC(CCCCCCCCCCCCCCC)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C56H98O8/c1-7-13-15-17-19-21-23-25-27-29-31-33-35-37-47(55(61)63-11-5)41-39-45(9-3)49-43-44-50(53(57)58)52(54(59)60)51(49)46(10-4)40-42-48(56(62)64-12-6)38-36-34-32-30-28-26-24-22-20-18-16-14-8-2/h43-48H,7-42H2,1-6H3,(H,57,58)(H,59,60)/p-2