hydron; 2-[2,3,7,8-tetrakis(phenylmethyl)-8-(2-sulfanylphenyl)-1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonan-3-yl]benzenethiol

Systemtic Name: hydron; 2-[2,3,7,8-tetrakis(phenylmethyl)-8-(2-sulfanylphenyl)-1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonan-3-yl]benzenethiol Openeye Name: hydron; 2-[2,3,7,8-tetrabenzyl-8-(2-sulfanylphenyl)-1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonan-3-yl]benzenethiol CAS Name: hydron; 2-[8-(2-mercaptophenyl)-2,3,7,8-tetrakis(phenylmethyl)-1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonan-3-yl]benzenethiol IUPAC Name: hydron; 2-[2,3,7,8-tetrabenzyl-8-(2-sulfanylphenyl)-1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonan-3-yl]benzenethiol Traditional Name: hydron; 2-[2,3,7,8-tetrabenzyl-8-(2-mercaptophenyl)-1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonan-3-yl]benzenethiol Formula: C44H41BO4S2 MolecularWeight: 708.73494

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[B-]12(OC(C(O1)(CC3=CC=CC=C3)C4=CC=CC=C4S)CC5=CC=CC=C5)OC(C(O2)(CC6=CC=CC=C6)C7=CC=CC=C7S)CC8=CC=CC=C8

Isomeric SMILES

[H+].[B-]12(OC(C(O1)(CC3=CC=CC=C3)C4=CC=CC=C4S)CC5=CC=CC=C5)OC(C(O2)(CC6=CC=CC=C6)C7=CC=CC=C7S)CC8=CC=CC=C8

InChI

InChI=1S/C44H40BO4S2/c50-39-27-15-13-25-37(39)43(31-35-21-9-3-10-22-35)41(29-33-17-5-1-6-18-33)46-45(48-43)47-42(30-34-19-7-2-8-20-34)44(49-45,32-36-23-11-4-12-24-36)38-26-14-16-28-40(38)51/h1-28,41-42,50-51H,29-32H2/q-1/p+1