4-(hydroxymethyl)-1,2-dihydrobenzo[b][4,1]benzoxathiepin-6-one

Systemtic Name: 4-(hydroxymethyl)-1,2-dihydrobenzo[b][4,1]benzoxathiepin-6-one Openeye Name: 4-(hydroxymethyl)-1,2-dihydrobenzo[b][4,1]benzoxathiepin-6-one CAS Name: 4-(hydroxymethyl)-1,2-dihydrobenzo[b][4,1]benzoxathiepin-6-one IUPAC Name: 4-(hydroxymethyl)-1,2-dihydrobenzo[b][4,1]benzoxathiepin-6-one Traditional Name: 4-methylol-1,2-dihydrobenzo[b][4,1]benzoxathiepin-6-one Formula: C14H12O3S MolecularWeight: 260.30828

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=C1)CO)OC(=O)C3=CC=CC=C3S2

Isomeric SMILES

C1CC2=C(C(=C1)CO)OC(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C14H12O3S/c15-8-9-4-3-7-12-13(9)17-14(16)10-5-1-2-6-11(10)18-12/h1-2,4-6,15H,3,7-8H2