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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCO)(CC(CN(CC(CC(CCCCCCCC)(CCO)N)O)CC(CC(CCCCCCCC)(CCO)N)O)O)N

Isomeric SMILES

CCCCCCCCC(CCO)(CC(CN(CC(CC(CCCCCCCC)(CCO)N)O)CC(CC(CCCCCCCC)(CCO)N)O)O)N

InChI

InChI=1S/C42H90N4O6/c1-4-7-10-13-16-19-22-40(43,25-28-47)31-37(50)34-46(35-38(51)32-41(44,26-29-48)23-20-17-14-11-8-5-2)36-39(52)33-42(45,27-30-49)24-21-18-15-12-9-6-3/h37-39,47-52H,4-36,43-45H2,1-3H3