2-[4-[3-[2-(benzotriazol-2-yl)-4-thiophen-2-yl-phenoxy]propoxy]phenyl]ethanoic acid

Systemtic Name: 2-[4-[3-[2-(benzotriazol-2-yl)-4-thiophen-2-yl-phenoxy]propoxy]phenyl]ethanoic acid Openeye Name: 2-[4-[3-[2-(benzotriazol-2-yl)-4-(2-thienyl)phenoxy]propoxy]phenyl]acetic acid CAS Name: 2-[4-[3-[2-(2-benzotriazolyl)-4-thiophen-2-ylphenoxy]propoxy]phenyl]acetic acid IUPAC Name: 2-[4-[3-[2-(benzotriazol-2-yl)-4-thiophen-2-ylphenoxy]propoxy]phenyl]acetic acid Traditional Name: 2-[4-[3-[2-(benzotriazol-2-yl)-4-(2-thienyl)phenoxy]propoxy]phenyl]acetic acid Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NN(N=C2C=C1)C3=C(C=CC(=C3)C4=CC=CS4)OCCCOC5=CC=C(C=C5)CC(=O)O

Isomeric SMILES

C1=CC2=NN(N=C2C=C1)C3=C(C=CC(=C3)C4=CC=CS4)OCCCOC5=CC=C(C=C5)CC(=O)O

InChI

InChI=1S/C27H23N3O4S/c31-27(32)17-19-8-11-21(12-9-19)33-14-4-15-34-25-13-10-20(26-7-3-16-35-26)18-24(25)30-28-22-5-1-2-6-23(22)29-30/h1-3,5-13,16,18H,4,14-15,17H2,(H,31,32)