2,3,4-trihexoxy-6-thiabicyclo[3.2.1]octa-1(8),2,4-trien-7-one

Systemtic Name: 2,3,4-trihexoxy-6-thiabicyclo[3.2.1]octa-1(8),2,4-trien-7-one Openeye Name: 2,3,4-trihexoxy-6-thiabicyclo[3.2.1]octa-1(8),2,4-trien-7-one CAS Name: 2,3,4-trihexoxy-6-thiabicyclo[3.2.1]octa-1(8),2,4-trien-7-one IUPAC Name: 2,3,4-trihexoxy-6-thiabicyclo[3.2.1]octa-1(8),2,4-trien-7-one Traditional Name: 2,3,4-trihexoxy-6-thiabicyclo[3.2.1]octa-1(8),2,4-trien-7-one Formula: C25H40O4S MolecularWeight: 436.6477

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=C2C=C1C(=O)S2)OCCCCCC)OCCCCCC

Isomeric SMILES

CCCCCCOC1=C(C(=C2C=C1C(=O)S2)OCCCCCC)OCCCCCC

InChI

InChI=1S/C25H40O4S/c1-4-7-10-13-16-27-22-20-19-21(30-25(20)26)23(28-17-14-11-8-5-2)24(22)29-18-15-12-9-6-3/h19H,4-18H2,1-3H3