[2-[5-(diethylamino)pent-3-ynyl]-1,3-dithian-2-yl]-diphenyl-methanol; ethanedioic acid

Systemtic Name: [2-[5-(diethylamino)pent-3-ynyl]-1,3-dithian-2-yl]-diphenyl-methanol; ethanedioic acid Openeye Name: [2-[5-(diethylamino)pent-3-ynyl]-1,3-dithian-2-yl]-diphenyl-methanol; oxalic acid CAS Name: [2-[5-(diethylamino)pent-3-ynyl]-1,3-dithian-2-yl]-diphenylmethanol; oxalic acid IUPAC Name: [2-[5-(diethylamino)pent-3-ynyl]-1,3-dithian-2-yl]-diphenylmethanol; oxalic acid Traditional Name: [2-[5-(diethylamino)pent-3-ynyl]-1,3-dithian-2-yl]-diphenyl-methanol; oxalic acid Formula: C28H35NO5S2 MolecularWeight: 529.7112

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCCC1(SCCCS1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CC#CCCC1(SCCCS1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H33NOS2.C2H2O4/c1-3-27(4-2)20-13-7-12-19-25(29-21-14-22-30-25)26(28,23-15-8-5-9-16-23)24-17-10-6-11-18-24;3-1(4)2(5)6/h5-6,8-11,15-18,28H,3-4,12,14,19-22H2,1-2H3;(H,3,4)(H,5,6)