[1-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-2-nitrooxy-ethyl] nitrate

Systemtic Name: [1-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-2-nitrooxy-ethyl] nitrate Openeye Name: [1-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-2-nitrooxy-ethyl] nitrate CAS Name: nitric acid [1-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-2-nitrooxyethyl] ester IUPAC Name: [1-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-2-nitrooxyethyl] nitrate Traditional Name: nitric acid [1-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-2-nitrooxy-ethyl] ester Formula: C16H12N2O8S MolecularWeight: 392.34008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C3=C(S2)C=C(C=C3)O)C(CO[N+](=O)[O-])O[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1C2=C(C3=C(S2)C=C(C=C3)O)C(CO[N+](=O)[O-])O[N+](=O)[O-])O

InChI

InChI=1S/C16H12N2O8S/c19-10-3-1-9(2-4-10)16-15(12-6-5-11(20)7-14(12)27-16)13(26-18(23)24)8-25-17(21)22/h1-7,13,19-20H,8H2