3-[(2-nitrophenyl)sulfanylmethyl]-3,4-dihydroisochromen-1-one

Systemtic Name: 3-[(2-nitrophenyl)sulfanylmethyl]-3,4-dihydroisochromen-1-one Openeye Name: 3-[(2-nitrophenyl)sulfanylmethyl]isochroman-1-one CAS Name: 3-[[(2-nitrophenyl)thio]methyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[(2-nitrophenyl)sulfanylmethyl]-3,4-dihydroisochromen-1-one Traditional Name: 3-[[(2-nitrophenyl)thio]methyl]isochroman-1-one Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)CSC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1C(OC(=O)C2=CC=CC=C21)CSC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H13NO4S/c18-16-13-6-2-1-5-11(13)9-12(21-16)10-22-15-8-4-3-7-14(15)17(19)20/h1-8,12H,9-10H2