(6E)-6-[1-(4-azanyl-3-oxidanyl-phenoxy)dodecan-4-ylidene]-3,4-dihydro-2H-1,5-benzodioxocine-2-carboxylic acid

Systemtic Name: (6E)-6-[1-(4-azanyl-3-oxidanyl-phenoxy)dodecan-4-ylidene]-3,4-dihydro-2H-1,5-benzodioxocine-2-carboxylic acid Openeye Name: (6E)-6-[1-[3-(4-amino-3-hydroxy-phenoxy)propyl]nonylidene]-3,4-dihydro-2H-1,5-benzodioxocine-2-carboxylic acid CAS Name: (6E)-6-[1-(4-amino-3-hydroxyphenoxy)dodecan-4-ylidene]-3,4-dihydro-2H-1,5-benzodioxocin-2-carboxylic acid IUPAC Name: (6E)-6-[1-(4-amino-3-hydroxyphenoxy)dodecan-4-ylidene]-3,4-dihydro-2H-1,5-benzodioxocine-2-carboxylic acid Traditional Name: (6E)-6-[1-[3-(4-amino-3-hydroxy-phenoxy)propyl]nonylidene]-3,4-dihydro-2H-1,5-benzodioxocin-2-carboxylic acid Formula: C29H39NO6 MolecularWeight: 497.62306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=C1C2=CC=CC=C2OC(CCO1)C(=O)O)CCCOC3=CC(=C(C=C3)N)O

Isomeric SMILES

CCCCCCCC/C(=C\1/C2=CC=CC=C2OC(CCO1)C(=O)O)/CCCOC3=CC(=C(C=C3)N)O

InChI

InChI=1S/C29H39NO6/c1-2-3-4-5-6-7-11-21(12-10-18-34-22-15-16-24(30)25(31)20-22)28-23-13-8-9-14-26(23)36-27(29(32)33)17-19-35-28/h8-9,13-16,20,27,31H,2-7,10-12,17-19,30H2,1H3,(H,32,33)/b28-21+