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

Systemtic Name: sodium (12-methylbenzo[a]anthracen-7-yl)methyl sulfate Openeye Name: sodium (12-methylbenzo[a]anthracen-7-yl)methyl sulfate CAS Name: sodium (12-methyl-7-benzo[a]anthracenyl)methyl sulfate IUPAC Name: sodium (12-methylbenzo[a]anthracen-7-yl)methyl sulfate Traditional Name: sodium (12-methylbenz[a]anthracen-7-yl)methyl sulfate Formula: C20H15NaO4S MolecularWeight: 374.38547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=CC=CC=C13)COS(=O)(=O)[O-])C=CC4=CC=CC=C42.[Na+]

Isomeric SMILES

CC1=C2C(=C(C3=CC=CC=C13)COS(=O)(=O)[O-])C=CC4=CC=CC=C42.[Na+]

InChI

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