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4-coronen-1-ylbutyl hydrogen sulfate

4-coronen-1-ylbutyl hydrogen sulfate

Systemtic Name:4-coronen-1-ylbutyl hydrogen sulfate
Openeye Name:4-coronen-1-ylbutyl hydrogen sulfate
CAS Name:sulfuric acid 4-(1-coronenyl)butyl ester
IUPAC Name:4-coronen-1-ylbutyl hydrogen sulfate
Traditional Name:sulfuric acid 4-coronen-1-ylbutyl ester
Formula: C28H20O4S
MolecularWeight: 452.521
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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


Isomeric SMILES

C1=CC2=C3C4=C1C=CC5=C4C6=C7C3=C(C=C2)C=CC7=C(C=C6C=C5)CCCCOS(=O)(=O)O


InChI

InChI=1S/C28H20O4S/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)


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