sodium 4-coronen-1-ylbutyl sulfate

Systemtic Name: sodium 4-coronen-1-ylbutyl sulfate Openeye Name: sodium 4-coronen-1-ylbutyl sulfate CAS Name: sodium 4-(1-coronenyl)butyl sulfate IUPAC Name: sodium 4-coronen-1-ylbutyl sulfate Traditional Name: sodium 4-coronen-1-ylbutyl sulfate Formula: C28H19NaO4S MolecularWeight: 474.50283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C4=C1C=CC5=C4C6=C7C3=C(C=C2)C=CC7=C(C=C6C=C5)CCCCOS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC2=C3C4=C1C=CC5=C4C6=C7C3=C(C=C2)C=CC7=C(C=C6C=C5)CCCCOS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C28H20O4S.Na/c29-33(30,31)32-14-2-1-3-20-15-21-11-10-18-7-5-16-4-6-17-8-9-19-12-13-22(20)28-26(19)24(17)23(16)25(18)27(21)28;/h4-13,15H,1-3,14H2,(H,29,30,31);/q;+1/p-1