2-dodecyliminopropanedioic acid; [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] dihydrogen phosphate

Systemtic Name: 2-dodecyliminopropanedioic acid; [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] dihydrogen phosphate Openeye Name: 2-dodecyliminopropanedioic acid; [2-methyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] dihydrogen phosphate CAS Name: 2-dodecyliminopropanedioic acid; [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl] dihydrogen phosphate IUPAC Name: 2-dodecyliminopropanedioic acid; [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] dihydrogen phosphate Traditional Name: 2-lauryliminomalonic acid; [2-methyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] dihydrogen phosphate Formula: C41H72NO9P MolecularWeight: 753.985441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN=C(C(=O)O)C(=O)O.CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)OP(=O)(O)O)C

Isomeric SMILES

CCCCCCCCCCCCN=C(C(=O)O)C(=O)O.CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)OP(=O)(O)O)C

InChI

InChI=1S/C26H45O5P.C15H27NO4/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(31-32(27,28)29)14-15-25(23)30-26;1-2-3-4-5-6-7-8-9-10-11-12-16-13(14(17)18)15(19)20/h14-15,19-22H,6-13,16-18H2,1-5H3,(H2,27,28,29);2-12H2,1H3,(H,17,18)(H,19,20)