(E)-2,2-bis(azanyl)-5-hexadecyl-3-methyl-4-oxidanylidene-henicos-12-enoic acid

Systemtic Name: (E)-2,2-bis(azanyl)-5-hexadecyl-3-methyl-4-oxidanylidene-henicos-12-enoic acid Openeye Name: (E)-2,2-diamino-5-hexadecyl-3-methyl-4-oxo-henicos-12-enoic acid CAS Name: (E)-2,2-diamino-5-hexadecyl-3-methyl-4-oxo-12-heneicosenoic acid IUPAC Name: (E)-2,2-diamino-5-hexadecyl-3-methyl-4-oxohenicos-12-enoic acid Traditional Name: (E)-2,2-diamino-5-cetyl-4-keto-3-methyl-heneicos-12-enoic acid Formula: C38H74N2O3 MolecularWeight: 607.00576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCC=CCCCCCCCC)C(=O)C(C)C(C(=O)O)(N)N

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCC/C=C/CCCCCCCC)C(=O)C(C)C(C(=O)O)(N)N

InChI

InChI=1S/C38H74N2O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35(36(41)34(3)38(39,40)37(42)43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18,20,34-35H,4-17,19,21-33,39-40H2,1-3H3,(H,42,43)/b20-18+