3-azanyl-6-[bis[4-azanyl-5-(hydroxymethyl)-2-oxidanyl-tridecyl]amino]-2-octyl-hexane-1,5-diol

Systemtic Name: 3-azanyl-6-[bis[4-azanyl-5-(hydroxymethyl)-2-oxidanyl-tridecyl]amino]-2-octyl-hexane-1,5-diol Openeye Name: 3-amino-6-[bis[4-amino-2-hydroxy-5-(hydroxymethyl)tridecyl]amino]-2-octyl-hexane-1,5-diol CAS Name: 3-amino-6-[bis[4-amino-2-hydroxy-5-(hydroxymethyl)tridecyl]amino]-2-octylhexane-1,5-diol IUPAC Name: 3-amino-6-[bis[4-amino-2-hydroxy-5-(hydroxymethyl)tridecyl]amino]-2-octylhexane-1,5-diol Traditional Name: 3-amino-6-[bis(4-amino-2-hydroxy-5-methylol-tridecyl)amino]-2-octyl-hexane-1,5-diol Formula: C42H90N4O6 MolecularWeight: 747.1872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CO)C(CC(CN(CC(CC(C(CCCCCCCC)CO)N)O)CC(CC(C(CCCCCCCC)CO)N)O)O)N

Isomeric SMILES

CCCCCCCCC(CO)C(CC(CN(CC(CC(C(CCCCCCCC)CO)N)O)CC(CC(C(CCCCCCCC)CO)N)O)O)N

InChI

InChI=1S/C42H90N4O6/c1-4-7-10-13-16-19-22-34(31-47)40(43)25-37(50)28-46(29-38(51)26-41(44)35(32-48)23-20-17-14-11-8-5-2)30-39(52)27-42(45)36(33-49)24-21-18-15-12-9-6-3/h34-42,47-52H,4-33,43-45H2,1-3H3