7-methoxy-9-(3-methylbutyl)-1,2,3,4,5-benzopentathiepin-6-ol

Systemtic Name: 7-methoxy-9-(3-methylbutyl)-1,2,3,4,5-benzopentathiepin-6-ol Openeye Name: 9-isopentyl-7-methoxy-1,2,3,4,5-benzopentathiepin-6-ol CAS Name: 7-methoxy-9-(3-methylbutyl)-1,2,3,4,5-benzopentathiepin-6-ol IUPAC Name: 7-methoxy-9-(3-methylbutyl)-1,2,3,4,5-benzopentathiepin-6-ol Traditional Name: 9-isoamyl-7-methoxy-1,2,3,4,5-benzopentathiepin-6-ol Formula: C12H16O2S5 MolecularWeight: 352.57924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC(=C(C2=C1SSSSS2)O)OC

Isomeric SMILES

CC(C)CCC1=CC(=C(C2=C1SSSSS2)O)OC

InChI

InChI=1S/C12H16O2S5/c1-7(2)4-5-8-6-9(14-3)10(13)12-11(8)15-17-19-18-16-12/h6-7,13H,4-5H2,1-3H3