sodium pyren-1-ylmethyl sulfate

Systemtic Name: sodium pyren-1-ylmethyl sulfate Openeye Name: sodium pyren-1-ylmethyl sulfate CAS Name: sodium 1-pyrenylmethyl sulfate IUPAC Name: sodium pyren-1-ylmethyl sulfate Traditional Name: sodium pyren-1-ylmethyl sulfate Formula: C17H11NaO4S MolecularWeight: 334.32161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)COS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)COS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H12O4S.Na/c18-22(19,20)21-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12;/h1-9H,10H2,(H,18,19,20);/q;+1/p-1