(E)-2,3-bis(azanyl)-2-[(E)-octadec-9-enoyl]-4-oxidanylidene-henicos-12-enoic acid

Systemtic Name: (E)-2,3-bis(azanyl)-2-[(E)-octadec-9-enoyl]-4-oxidanylidene-henicos-12-enoic acid Openeye Name: (E)-2,3-diamino-2-[(E)-octadec-9-enoyl]-4-oxo-henicos-12-enoic acid CAS Name: (E)-2,3-diamino-4-oxo-2-[(E)-1-oxooctadec-9-enyl]-12-heneicosenoic acid IUPAC Name: (E)-2,3-diamino-2-[(E)-octadec-9-enoyl]-4-oxohenicos-12-enoic acid Traditional Name: (E)-2,3-diamino-4-keto-2-[(E)-octadec-9-enoyl]heneicos-12-enoic acid Formula: C39H72N2O4 MolecularWeight: 632.99998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(C(C(=O)CCCCCCCC=CCCCCCCCC)(C(=O)O)N)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C(C(C(=O)CCCCCCC/C=C/CCCCCCCC)(C(=O)O)N)N

InChI

InChI=1S/C39H72N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(42)37(40)39(41,38(44)45)36(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-34,40-41H2,1-2H3,(H,44,45)/b19-17+,20-18+