2,3-diacetyloxy-2-[3-[(E)-3-(3,4-didodecoxyphenyl)prop-2-enoyl]oxy-2-oxidanyl-propyl]butanedioate

Systemtic Name: 2,3-diacetyloxy-2-[3-[(E)-3-(3,4-didodecoxyphenyl)prop-2-enoyl]oxy-2-oxidanyl-propyl]butanedioate Openeye Name: 2,3-diacetoxy-2-[3-[(E)-3-(3,4-didodecoxyphenyl)prop-2-enoyl]oxy-2-hydroxy-propyl]butanedioate CAS Name: 2,3-diacetyloxy-2-[3-[(E)-3-(3,4-didodecoxyphenyl)-1-oxoprop-2-enoxy]-2-hydroxypropyl]butanedioate IUPAC Name: 2,3-diacetyloxy-2-[3-[(E)-3-(3,4-didodecoxyphenyl)prop-2-enoyl]oxy-2-hydroxypropyl]butanedioate Traditional Name: 2,3-diacetoxy-2-[3-[(E)-3-(3,4-dilauryloxyphenyl)acryloyl]oxy-2-hydroxy-propyl]succinate Formula: C44H68O13-2 MolecularWeight: 805.00292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C=CC(=O)OCC(CC(C(C(=O)[O-])OC(=O)C)(C(=O)[O-])OC(=O)C)O)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(CC(C(C(=O)[O-])OC(=O)C)(C(=O)[O-])OC(=O)C)O)OCCCCCCCCCCCC

InChI

InChI=1S/C44H70O13/c1-5-7-9-11-13-15-17-19-21-23-29-53-38-27-25-36(31-39(38)54-30-24-22-20-18-16-14-12-10-8-6-2)26-28-40(48)55-33-37(47)32-44(43(51)52,57-35(4)46)41(42(49)50)56-34(3)45/h25-28,31,37,41,47H,5-24,29-30,32-33H2,1-4H3,(H,49,50)(H,51,52)/p-2/b28-26+