ethanedioic acid; 2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-ol

Systemtic Name: ethanedioic acid; 2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-ol Openeye Name: 2-(4-hydroxyphenyl)-3-[4-[2-(1-piperidyl)ethoxy]phenoxy]benzothiophen-6-ol; oxalic acid CAS Name: 2-(4-hydroxyphenyl)-3-[4-[2-(1-piperidinyl)ethoxy]phenoxy]-1-benzothiophen-6-ol; oxalic acid IUPAC Name: 2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-ol; oxalic acid Traditional Name: 2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)phenoxy]benzothiophen-6-ol; oxalic acid Formula: C29H29NO8S MolecularWeight: 551.60746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)OC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)OC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H27NO4S.C2H2O4/c29-20-6-4-19(5-7-20)27-26(24-13-8-21(30)18-25(24)33-27)32-23-11-9-22(10-12-23)31-17-16-28-14-2-1-3-15-28;3-1(4)2(5)6/h4-13,18,29-30H,1-3,14-17H2;(H,3,4)(H,5,6)