5-[5-(anthracen-2-ylamino)-6-methyl-6-(4-sulfanylbutyl)-1,2,4-trioxan-3-yl]hexane-1-thiol

Systemtic Name: 5-[5-(anthracen-2-ylamino)-6-methyl-6-(4-sulfanylbutyl)-1,2,4-trioxan-3-yl]hexane-1-thiol Openeye Name: 5-[5-(2-anthrylamino)-6-methyl-6-(4-sulfanylbutyl)-1,2,4-trioxan-3-yl]hexane-1-thiol CAS Name: 5-[5-(2-anthracenylamino)-6-(4-mercaptobutyl)-6-methyl-1,2,4-trioxan-3-yl]-1-hexanethiol IUPAC Name: 5-[5-(anthracen-2-ylamino)-6-methyl-6-(4-sulfanylbutyl)-1,2,4-trioxan-3-yl]hexane-1-thiol Traditional Name: 5-[5-(2-anthrylamino)-6-(4-mercaptobutyl)-6-methyl-1,2,4-trioxan-3-yl]hexane-1-thiol Formula: C28H37NO3S2 MolecularWeight: 499.72828

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCS)C1OC(C(OO1)(C)CCCCS)NC2=CC3=CC4=CC=CC=C4C=C3C=C2

Isomeric SMILES

CC(CCCCS)C1OC(C(OO1)(C)CCCCS)NC2=CC3=CC4=CC=CC=C4C=C3C=C2

InChI

InChI=1S/C28H37NO3S2/c1-20(9-5-7-15-33)26-30-27(28(2,32-31-26)14-6-8-16-34)29-25-13-12-23-17-21-10-3-4-11-22(21)18-24(23)19-25/h3-4,10-13,17-20,26-27,29,33-34H,5-9,14-16H2,1-2H3