3,3-bis[(E)-16-methylheptadec-1-enyl]pyrrolidine-2,5-dione; phosphoric acid

Systemtic Name: 3,3-bis[(E)-16-methylheptadec-1-enyl]pyrrolidine-2,5-dione; phosphoric acid Openeye Name: 3,3-bis[(E)-16-methylheptadec-1-enyl]pyrrolidine-2,5-dione; phosphoric acid CAS Name: 3,3-bis[(E)-16-methylheptadec-1-enyl]pyrrolidine-2,5-dione; phosphoric acid IUPAC Name: 3,3-bis[(E)-16-methylheptadec-1-enyl]pyrrolidine-2,5-dione; phosphoric acid Traditional Name: 3,3-bis[(E)-16-methylheptadec-1-enyl]pyrrolidine-2,5-quinone; phosphoric acid Formula: C40H76NO6P MolecularWeight: 698.008301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCC=CC1(CC(=O)NC1=O)C=CCCCCCCCCCCCCCC(C)C.OP(=O)(O)O

Isomeric SMILES

CC(CCCCCCCCCCCCC/C=C/C1(C(=O)NC(=O)C1)/C=C/CCCCCCCCCCCCCC(C)C)C.OP(=O)(O)O

InChI

InChI=1S/C40H73NO2.H3O4P/c1-36(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-40(35-38(42)41-39(40)43)34-30-26-22-18-14-10-6-8-12-16-20-24-28-32-37(3)4;1-5(2,3)4/h29-30,33-34,36-37H,5-28,31-32,35H2,1-4H3,(H,41,42,43);(H3,1,2,3,4)/b33-29+,34-30+;