2-oxidanyl-2-phenyl-ethanoic acid; 1-thiophen-3-yl-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 2-oxidanyl-2-phenyl-ethanoic acid; 1-thiophen-3-yl-1,2,3,4-tetrahydroisoquinoline Openeye Name: 2-hydroxy-2-phenyl-acetic acid; 1-(3-thienyl)-1,2,3,4-tetrahydroisoquinoline CAS Name: 2-hydroxy-2-phenylacetic acid; 1-(3-thiophenyl)-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 2-hydroxy-2-phenylacetic acid; 1-thiophen-3-yl-1,2,3,4-tetrahydroisoquinoline Traditional Name: madelic acid; 1-(3-thienyl)-1,2,3,4-tetrahydroisoquinoline Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC=CC=C21)C3=CSC=C3.C1=CC=C(C=C1)C(C(=O)O)O

Isomeric SMILES

C1CNC(C2=CC=CC=C21)C3=CSC=C3.C1=CC=C(C=C1)C(C(=O)O)O

InChI

InChI=1S/C13H13NS.C8H8O3/c1-2-4-12-10(3-1)5-7-14-13(12)11-6-8-15-9-11;9-7(8(10)11)6-4-2-1-3-5-6/h1-4,6,8-9,13-14H,5,7H2;1-5,7,9H,(H,10,11)