(7-methylbenzo[a]anthracen-12-yl)methyl hydrogen sulfate

Systemtic Name: (7-methylbenzo[a]anthracen-12-yl)methyl hydrogen sulfate Openeye Name: (7-methylbenzo[a]anthracen-12-yl)methyl hydrogen sulfate CAS Name: sulfuric acid (7-methyl-12-benzo[a]anthracenyl)methyl ester IUPAC Name: (7-methylbenzo[a]anthracen-12-yl)methyl hydrogen sulfate Traditional Name: sulfuric acid (7-methylbenz[a]anthracen-12-yl)methyl ester Formula: C20H16O4S MolecularWeight: 352.40364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)COS(=O)(=O)O

Isomeric SMILES

CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)COS(=O)(=O)O

InChI

InChI=1S/C20H16O4S/c1-13-15-7-4-5-9-18(15)19(12-24-25(21,22)23)20-16(13)11-10-14-6-2-3-8-17(14)20/h2-11H,12H2,1H3,(H,21,22,23)