pyren-1-ylsulfonyl (4E)-4-hydroxyimino-4-pyren-1-ylsulfonyloxy-butanoate

Systemtic Name: pyren-1-ylsulfonyl (4E)-4-hydroxyimino-4-pyren-1-ylsulfonyloxy-butanoate Openeye Name: pyren-1-ylsulfonyl (4E)-4-hydroxyimino-4-pyren-1-ylsulfonyloxy-butanoate CAS Name: (4E)-4-hydroxyimino-4-(1-pyrenylsulfonyloxy)butanoic acid 1-pyrenylsulfonyl ester IUPAC Name: pyren-1-ylsulfonyl (4E)-4-hydroxyimino-4-pyren-1-ylsulfonyloxybutanoate Traditional Name: (4E)-4-hydroximino-4-pyren-1-ylsulfonyloxy-butyric acid pyren-1-ylsulfonyl ester Formula: C36H23NO8S2 MolecularWeight: 661.69972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)OC(=NO)CCC(=O)OS(=O)(=O)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)O/C(=N/O)/CCC(=O)OS(=O)(=O)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5

InChI

InChI=1S/C36H23NO8S2/c38-32(45-47(42,43)30-18-14-26-10-8-22-4-2-6-24-12-16-28(30)36(26)34(22)24)20-19-31(37-39)44-46(40,41)29-17-13-25-9-7-21-3-1-5-23-11-15-27(29)35(25)33(21)23/h1-18,39H,19-20H2/b37-31+