1-(2-methylphenyl)ethanethiol; [(2-nitrophenyl)-oxidanyl-methyl]phosphonic acid

Systemtic Name: 1-(2-methylphenyl)ethanethiol; [(2-nitrophenyl)-oxidanyl-methyl]phosphonic acid Openeye Name: [hydroxy-(2-nitrophenyl)methyl]phosphonic acid; 1-(o-tolyl)ethanethiol CAS Name: [hydroxy-(2-nitrophenyl)methyl]phosphonic acid; 1-(2-methylphenyl)ethanethiol IUPAC Name: [hydroxy-(2-nitrophenyl)methyl]phosphonic acid; 1-(2-methylphenyl)ethanethiol Traditional Name: [hydroxy-(2-nitrophenyl)methyl]phosphonic acid; 1-(o-tolyl)ethanethiol Formula: C16H20NO6PS MolecularWeight: 385.371861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)S.C1=CC=C(C(=C1)C(O)P(=O)(O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(C)S.C1=CC=C(C(=C1)C(O)P(=O)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H12S.C7H8NO6P/c1-7-5-3-4-6-9(7)8(2)10;9-7(15(12,13)14)5-3-1-2-4-6(5)8(10)11/h3-6,8,10H,1-2H3;1-4,7,9H,(H2,12,13,14)