(1-chloranyl-4-dodecoxy-9-oxidanylidene-xanthen-2-yl) hydrogen sulfate

Systemtic Name: (1-chloranyl-4-dodecoxy-9-oxidanylidene-xanthen-2-yl) hydrogen sulfate Openeye Name: (1-chloro-4-dodecoxy-9-oxo-xanthen-2-yl) hydrogen sulfate CAS Name: sulfuric acid (1-chloro-4-dodecoxy-9-oxo-2-xanthenyl) ester IUPAC Name: (1-chloro-4-dodecoxy-9-oxoxanthen-2-yl) hydrogen sulfate Traditional Name: sulfuric acid (1-chloro-9-keto-4-lauryloxy-xanthen-2-yl) ester Formula: C25H31ClO7S MolecularWeight: 511.02744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C2=C1OC3=CC=CC=C3C2=O)Cl)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C2=C1OC3=CC=CC=C3C2=O)Cl)OS(=O)(=O)O

InChI

InChI=1S/C25H31ClO7S/c1-2-3-4-5-6-7-8-9-10-13-16-31-21-17-20(33-34(28,29)30)23(26)22-24(27)18-14-11-12-15-19(18)32-25(21)22/h11-12,14-15,17H,2-10,13,16H2,1H3,(H,28,29,30)