2-butyl-4-(1,3-dithian-2-yl)-3-methoxy-4-oxidanyl-cyclobut-2-en-1-one

Systemtic Name: 2-butyl-4-(1,3-dithian-2-yl)-3-methoxy-4-oxidanyl-cyclobut-2-en-1-one Openeye Name: 2-butyl-4-(1,3-dithian-2-yl)-4-hydroxy-3-methoxy-cyclobut-2-en-1-one CAS Name: 2-butyl-4-(1,3-dithian-2-yl)-4-hydroxy-3-methoxy-1-cyclobut-2-enone IUPAC Name: 2-butyl-4-(1,3-dithian-2-yl)-4-hydroxy-3-methoxycyclobut-2-en-1-one Traditional Name: 2-butyl-4-(1,3-dithian-2-yl)-4-hydroxy-3-methoxy-cyclobut-2-en-1-one Formula: C13H20O3S2 MolecularWeight: 288.4261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(C1=O)(C2SCCCS2)O)OC

Isomeric SMILES

CCCCC1=C(C(C1=O)(C2SCCCS2)O)OC

InChI

InChI=1S/C13H20O3S2/c1-3-4-6-9-10(14)13(15,11(9)16-2)12-17-7-5-8-18-12/h12,15H,3-8H2,1-2H3