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

Systemtic Name: sodium [12-(hydroxymethyl)benzo[a]anthracen-7-yl]methyl sulfate Openeye Name: sodium [12-(hydroxymethyl)benzo[a]anthracen-7-yl]methyl sulfate CAS Name: sodium [12-(hydroxymethyl)-7-benzo[a]anthracenyl]methyl sulfate IUPAC Name: sodium [12-(hydroxymethyl)benzo[a]anthracen-7-yl]methyl sulfate Traditional Name: sodium (12-methylolbenz[a]anthracen-7-yl)methyl sulfate Formula: C20H15NaO5S MolecularWeight: 390.38487

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C(=C32)CO)COS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C(=C32)CO)COS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H16O5S.Na/c21-11-18-15-7-3-4-8-16(15)19(12-25-26(22,23)24)17-10-9-13-5-1-2-6-14(13)20(17)18;/h1-10,21H,11-12H2,(H,22,23,24);/q;+1/p-1