1,4-bis[(3-azanyl-2-oxidanyl-propyl)-[(Z)-octadec-9-enyl]amino]butane-2,3-diol

Systemtic Name: 1,4-bis[(3-azanyl-2-oxidanyl-propyl)-[(Z)-octadec-9-enyl]amino]butane-2,3-diol Openeye Name: 1,4-bis[(3-amino-2-hydroxy-propyl)-[(Z)-octadec-9-enyl]amino]butane-2,3-diol CAS Name: 1,4-bis[(3-amino-2-hydroxypropyl)-[(Z)-octadec-9-enyl]amino]butane-2,3-diol IUPAC Name: 1,4-bis[(3-amino-2-hydroxypropyl)-[(Z)-octadec-9-enyl]amino]butane-2,3-diol Traditional Name: 1,4-bis[(3-amino-2-hydroxy-propyl)-[(Z)-octadec-9-enyl]amino]butane-2,3-diol Formula: C46H94N4O4 MolecularWeight: 767.26296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN(CC(CN)O)CC(C(CN(CCCCCCCCC=CCCCCCCCC)CC(CN)O)O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCN(CC(O)C(O)CN(CC(O)CN)CCCCCCCC/C=C\CCCCCCCC)CC(O)CN

InChI

InChI=1S/C46H94N4O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-49(39-43(51)37-47)41-45(53)46(54)42-50(40-44(52)38-48)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,43-46,51-54H,3-16,21-42,47-48H2,1-2H3/b19-17-,20-18-