2-[3,7-bis(azanyl)-3-dodecyl-5-oxidanyl-2-oxidanylidene-7-prop-2-enoyl-nonadecyl]propanedioic acid

Systemtic Name: 2-[3,7-bis(azanyl)-3-dodecyl-5-oxidanyl-2-oxidanylidene-7-prop-2-enoyl-nonadecyl]propanedioic acid Openeye Name: 2-(3,7-diamino-3-dodecyl-5-hydroxy-2-oxo-7-prop-2-enoyl-nonadecyl)propanedioic acid CAS Name: 2-[3,7-diamino-3-dodecyl-5-hydroxy-2-oxo-7-(1-oxoprop-2-enyl)nonadecyl]propanedioic acid IUPAC Name: 2-(3,7-diamino-3-dodecyl-5-hydroxy-2-oxo-7-prop-2-enoylnonadecyl)propanedioic acid Traditional Name: 2-(3,7-diamino-5-hydroxy-2,8-diketo-3,7-dilauryl-dec-9-enyl)malonic acid Formula: C37H68N2O7 MolecularWeight: 652.94502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC(CC(CCCCCCCCCCCC)(C(=O)C=C)N)O)(C(=O)CC(C(=O)O)C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCC(CC(CC(CCCCCCCCCCCC)(C(=O)C=C)N)O)(C(=O)CC(C(=O)O)C(=O)O)N

InChI

InChI=1S/C37H68N2O7/c1-4-7-9-11-13-15-17-19-21-23-25-36(38,32(41)6-3)28-30(40)29-37(39,33(42)27-31(34(43)44)35(45)46)26-24-22-20-18-16-14-12-10-8-5-2/h6,30-31,40H,3-5,7-29,38-39H2,1-2H3,(H,43,44)(H,45,46)