2-[bis(2-hydroxyethyl)amino]ethanol; 2-[(E)-octadec-9-enoyl]oxybenzoic acid

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[(E)-octadec-9-enoyl]oxybenzoic acid Openeye Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[(E)-octadec-9-enoyl]oxybenzoic acid CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[(E)-1-oxooctadec-9-enoxy]benzoic acid IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[(E)-octadec-9-enoyl]oxybenzoic acid Traditional Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[(E)-octadec-9-enoyl]oxybenzoic acid Formula: C31H53NO7 MolecularWeight: 551.75502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1=CC=CC=C1C(=O)O.C(CO)N(CCO)CCO

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC1=CC=CC=C1C(=O)O.C(CO)N(CCO)CCO

InChI

InChI=1S/C25H38O4.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(26)29-23-20-18-17-19-22(23)25(27)28;8-4-1-7(2-5-9)3-6-10/h9-10,17-20H,2-8,11-16,21H2,1H3,(H,27,28);8-10H,1-6H2/b10-9+;