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

Systemtic Name: (2-methylphenyl)methanethiol; [(2-nitrophenyl)-oxidanyl-methyl]phosphonic acid Openeye Name: [hydroxy-(2-nitrophenyl)methyl]phosphonic acid; o-tolylmethanethiol CAS Name: [hydroxy-(2-nitrophenyl)methyl]phosphonic acid; (2-methylphenyl)methanethiol IUPAC Name: [hydroxy-(2-nitrophenyl)methyl]phosphonic acid; (2-methylphenyl)methanethiol Traditional Name: [hydroxy-(2-nitrophenyl)methyl]phosphonic acid; o-tolylmethanethiol Formula: C15H18NO6PS MolecularWeight: 371.345281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS.C1=CC=C(C(=C1)C(O)P(=O)(O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CS.C1=CC=C(C(=C1)C(O)P(=O)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H10S.C7H8NO6P/c1-7-4-2-3-5-8(7)6-9;9-7(15(12,13)14)5-3-1-2-4-6(5)8(10)11/h2-5,9H,6H2,1H3;1-4,7,9H,(H2,12,13,14)