4-methyl-2H-benzotriazole; (E)-3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxycarbonylpentadec-4-enoic acid

Systemtic Name: 4-methyl-2H-benzotriazole; (E)-3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxycarbonylpentadec-4-enoic acid Openeye Name: (E)-3-(2-hydroxy-1-methyl-2-oxo-ethoxy)carbonylpentadec-4-enoic acid; 4-methyl-2H-benzotriazole CAS Name: (E)-3-[(1-hydroxy-1-oxopropan-2-yl)oxy-oxomethyl]-4-pentadecenoic acid; 4-methyl-2H-benzotriazole IUPAC Name: (E)-3-(1-hydroxy-1-oxopropan-2-yl)oxycarbonylpentadec-4-enoic acid; 4-methyl-2H-benzotriazole Traditional Name: (E)-3-(2-hydroxy-2-keto-1-methyl-ethoxy)carbonylpentadec-4-enoic acid; 4-methyl-2H-benzotriazole Formula: C33H46N6O6 MolecularWeight: 622.75494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CC(CC(=O)O)C(=O)OC(C)C(=O)O.CC1=CC=CC2=NNN=C12.CC1=CC=CC2=NNN=C12

Isomeric SMILES

CCCCCCCCCC/C=C/C(CC(=O)O)C(=O)OC(C)C(=O)O.CC1=CC=CC2=NNN=C12.CC1=CC=CC2=NNN=C12

InChI

InChI=1S/C19H32O6.2C7H7N3/c1-3-4-5-6-7-8-9-10-11-12-13-16(14-17(20)21)19(24)25-15(2)18(22)23;2*1-5-3-2-4-6-7(5)9-10-8-6/h12-13,15-16H,3-11,14H2,1-2H3,(H,20,21)(H,22,23);2*2-4H,1H3,(H,8,9,10)/b13-12+;;