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

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

C1C=CC2=C(C1CO)SC3=CC=CC=C3C(=O)O2

Isomeric SMILES

C1C=CC2=C(C1CO)SC3=CC=CC=C3C(=O)O2

InChI

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