ethanedioic acid; 2-prop-2-ynylspiro[1,3-dihydroisoquinoline-4,2'-3H-1-benzofuran]

Systemtic Name: ethanedioic acid; 2-prop-2-ynylspiro[1,3-dihydroisoquinoline-4,2'-3H-1-benzofuran] Openeye Name: oxalic acid; 2-prop-2-ynylspiro[1,3-dihydroisoquinoline-4,2'-3H-benzofuran] CAS Name: oxalic acid; 2-prop-2-ynylspiro[1,3-dihydroisoquinoline-4,2'-3H-benzofuran] IUPAC Name: oxalic acid; 2-prop-2-ynylspiro[1,3-dihydroisoquinoline-4,2'-3H-1-benzofuran] Traditional Name: oxalic acid; 2-propargylspiro[1,3-dihydroisoquinoline-4,2'-coumaran] Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CC2=CC=CC=C2C3(C1)CC4=CC=CC=C4O3.C(=O)(C(=O)O)O

Isomeric SMILES

C#CCN1CC2=CC=CC=C2C3(C1)CC4=CC=CC=C4O3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H17NO.C2H2O4/c1-2-11-20-13-16-8-3-5-9-17(16)19(14-20)12-15-7-4-6-10-18(15)21-19;3-1(4)2(5)6/h1,3-10H,11-14H2;(H,3,4)(H,5,6)