2-methyl-4-nitro-phenol; 2-phenylethanesulfonic acid

Systemtic Name: 2-methyl-4-nitro-phenol; 2-phenylethanesulfonic acid Openeye Name: 2-methyl-4-nitro-phenol; 2-phenylethanesulfonic acid CAS Name: 2-methyl-4-nitrophenol; 2-phenylethanesulfonic acid IUPAC Name: 2-methyl-4-nitrophenol; 2-phenylethanesulfonic acid Traditional Name: 2-methyl-4-nitro-phenol; 2-phenylethanesulfonic acid Formula: C15H17NO6S MolecularWeight: 339.36358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10O3S.C7H7NO3/c9-12(10,11)7-6-8-4-2-1-3-5-8;1-5-4-6(8(10)11)2-3-7(5)9/h1-5H,6-7H2,(H,9,10,11);2-4,9H,1H3