1-(3-nitrophenyl)ethanesulfonic acid; 2-phenylazanylethanol

Systemtic Name: 1-(3-nitrophenyl)ethanesulfonic acid; 2-phenylazanylethanol Openeye Name: 2-anilinoethanol; 1-(3-nitrophenyl)ethanesulfonic acid CAS Name: 2-anilinoethanol; 1-(3-nitrophenyl)ethanesulfonic acid IUPAC Name: 2-anilinoethanol; 1-(3-nitrophenyl)ethanesulfonic acid Traditional Name: 2-anilinoethanol; 1-(3-nitrophenyl)ethanesulfonic acid Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)O.C1=CC=C(C=C1)NCCO

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)O.C1=CC=C(C=C1)NCCO

InChI

InChI=1S/C8H9NO5S.C8H11NO/c1-6(15(12,13)14)7-3-2-4-8(5-7)9(10)11;10-7-6-9-8-4-2-1-3-5-8/h2-6H,1H3,(H,12,13,14);1-5,9-10H,6-7H2