[3-nitro-11,11-bis(oxidanylidene)benzo[b][1]benzothiepin-9-yl]methanol

Systemtic Name: [3-nitro-11,11-bis(oxidanylidene)benzo[b][1]benzothiepin-9-yl]methanol Openeye Name: (3-nitro-11,11-dioxo-benzo[b][1]benzothiepin-9-yl)methanol CAS Name: (3-nitro-11,11-dioxo-9-benzo[b][1]benzothiepinyl)methanol IUPAC Name: (3-nitro-11,11-dioxobenzo[b][1]benzothiepin-9-yl)methanol Traditional Name: (11,11-diketo-3-nitro-benzo[b][1]benzothiepin-9-yl)methanol Formula: C15H11NO5S MolecularWeight: 317.31654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC3=C(S2(=O)=O)C=CC(=C3)[N+](=O)[O-])CO

Isomeric SMILES

C1=CC(=CC2=C1C=CC3=C(S2(=O)=O)C=CC(=C3)[N+](=O)[O-])CO

InChI

InChI=1S/C15H11NO5S/c17-9-10-1-2-11-3-4-12-8-13(16(18)19)5-6-14(12)22(20,21)15(11)7-10/h1-8,17H,9H2