pyren-1-ylsulfonyl 4-azanylidene-2-oxidanyl-4-pyren-1-ylsulfonyloxy-butanoate

Systemtic Name: pyren-1-ylsulfonyl 4-azanylidene-2-oxidanyl-4-pyren-1-ylsulfonyloxy-butanoate Openeye Name: pyren-1-ylsulfonyl 2-hydroxy-4-imino-4-pyren-1-ylsulfonyloxy-butanoate CAS Name: 2-hydroxy-4-imino-4-(1-pyrenylsulfonyloxy)butanoic acid 1-pyrenylsulfonyl ester IUPAC Name: pyren-1-ylsulfonyl 2-hydroxy-4-imino-4-pyren-1-ylsulfonyloxybutanoate Traditional Name: 2-hydroxy-4-imino-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(=N)CC(C(=O)OS(=O)(=O)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)O

Isomeric SMILES

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

InChI

InChI=1S/C36H23NO8S2/c37-31(44-46(40,41)29-17-13-24-9-7-20-3-1-5-22-11-15-26(29)34(24)32(20)22)19-28(38)36(39)45-47(42,43)30-18-14-25-10-8-21-4-2-6-23-12-16-27(30)35(25)33(21)23/h1-18,28,37-38H,19H2