3-[(4-nitrophenyl)-oxidanyl-methyl]thiochromen-4-one

Systemtic Name: 3-[(4-nitrophenyl)-oxidanyl-methyl]thiochromen-4-one Openeye Name: 3-[hydroxy-(4-nitrophenyl)methyl]thiochromen-4-one CAS Name: 3-[hydroxy-(4-nitrophenyl)methyl]-1-benzothiopyran-4-one IUPAC Name: 3-[hydroxy-(4-nitrophenyl)methyl]thiochromen-4-one Traditional Name: 3-[hydroxy-(4-nitrophenyl)methyl]thiochromen-4-one Formula: C16H11NO4S MolecularWeight: 313.32784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CS2)C(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=CS2)C(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H11NO4S/c18-15(10-5-7-11(8-6-10)17(20)21)13-9-22-14-4-2-1-3-12(14)16(13)19/h1-9,15,18H