2-azanyl-1-phenyl-propan-1-ol; 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-azanyl-1-phenyl-propan-1-ol; 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-amino-1-phenyl-propan-1-ol; 1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-amino-1-phenyl-1-propanol; 1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-amino-1-phenylpropan-1-ol; 1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-amino-1-phenyl-propan-1-ol; 1,1-diketo-1,2-benzothiazol-3-one Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)N.C1=CC=C2C(=C1)C(=O)NS2(=O)=O

Isomeric SMILES

CC(C(C1=CC=CC=C1)O)N.C1=CC=C2C(=C1)C(=O)NS2(=O)=O

InChI

InChI=1S/C9H13NO.C7H5NO3S/c1-7(10)9(11)8-5-3-2-4-6-8;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h2-7,9,11H,10H2,1H3;1-4H,(H,8,9)