9,10,11-trimethoxy-1,2,3,4,4a,11b-hexahydrobenzo[d][1]benzothiepin-7-one

Systemtic Name: 9,10,11-trimethoxy-1,2,3,4,4a,11b-hexahydrobenzo[d][1]benzothiepin-7-one Openeye Name: 9,10,11-trimethoxy-1,2,3,4,4a,11b-hexahydrobenzo[d][1]benzothiepin-7-one CAS Name: 9,10,11-trimethoxy-1,2,3,4,4a,11b-hexahydrobenzo[d][1]benzothiepin-7-one IUPAC Name: 9,10,11-trimethoxy-1,2,3,4,4a,11b-hexahydrobenzo[d][1]benzothiepin-7-one Traditional Name: 9,10,11-trimethoxy-1,2,3,4,4a,11b-hexahydrobenzo[d][1]benzothiepin-7-one Formula: C17H22O4S MolecularWeight: 322.41918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C3CCCCC3SCC(=O)C2=C1)OC)OC

Isomeric SMILES

COC1=C(C(=C2C3CCCCC3SCC(=O)C2=C1)OC)OC

InChI

InChI=1S/C17H22O4S/c1-19-13-8-11-12(18)9-22-14-7-5-4-6-10(14)15(11)17(21-3)16(13)20-2/h8,10,14H,4-7,9H2,1-3H3