2-[2-[3-(benzotriazol-2-yl)phenyl]-3-oxidanyl-propyl]-3-butyl-octanoic acid

Systemtic Name: 2-[2-[3-(benzotriazol-2-yl)phenyl]-3-oxidanyl-propyl]-3-butyl-octanoic acid Openeye Name: 2-[2-[3-(benzotriazol-2-yl)phenyl]-3-hydroxy-propyl]-3-butyl-octanoic acid CAS Name: 2-[2-[3-(2-benzotriazolyl)phenyl]-3-hydroxypropyl]-3-butyloctanoic acid IUPAC Name: 2-[2-[3-(benzotriazol-2-yl)phenyl]-3-hydroxypropyl]-3-butyloctanoic acid Traditional Name: 2-[2-[3-(benzotriazol-2-yl)phenyl]-3-hydroxy-propyl]-3-butyl-caprylic acid Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC)C(CC(CO)C1=CC(=CC=C1)N2N=C3C=CC=CC3=N2)C(=O)O

Isomeric SMILES

CCCCCC(CCCC)C(CC(CO)C1=CC(=CC=C1)N2N=C3C=CC=CC3=N2)C(=O)O

InChI

InChI=1S/C27H37N3O3/c1-3-5-7-12-20(11-6-4-2)24(27(32)33)18-22(19-31)21-13-10-14-23(17-21)30-28-25-15-8-9-16-26(25)29-30/h8-10,13-17,20,22,24,31H,3-7,11-12,18-19H2,1-2H3,(H,32,33)