2-(hydroxymethyl)-4a,10-dihydrobenzo[d][2,3]benzoxathiepin-11-one

Systemtic Name: 2-(hydroxymethyl)-4a,10-dihydrobenzo[d][2,3]benzoxathiepin-11-one Openeye Name: 2-(hydroxymethyl)-4a,10-dihydrobenzo[d][2,3]benzoxathiepin-11-one CAS Name: 2-(hydroxymethyl)-4a,10-dihydrobenzo[d][2,3]benzoxathiepin-11-one IUPAC Name: 2-(hydroxymethyl)-4a,10-dihydrobenzo[d][2,3]benzoxathiepin-11-one Traditional Name: 2-methylol-4a,10-dihydrobenzo[d][2,3]benzoxathiepin-11-one Formula: C14H12O3S MolecularWeight: 260.30828

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2=COSC3C=CC(=CC3=C2C1=O)CO

Isomeric SMILES

C1C=CC2=COSC3C=CC(=CC3=C2C1=O)CO

InChI

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