7,12-Dihydroxymethylbenz[a]Anthracene 7-Sulfate
[CAS# 98644-23-6]

Identification

• Name: 7,12-Dihydroxymethylbenz[a]Anthracene 7-Sulfate
• Synonyms: Sodium [12-(Hydroxymethyl)-7-Benzo[B]Phenanthrenyl]Methyl Sulfate; Sodium (12-Methylolbenzo[B]Phenanthren-7-Yl)Methyl Sulfate; Ccris 5237
• Molecular Formula: C₂₀H₁₅NaO₅S
• Molecular Weight: 390.39
• CAS Registry Number: 98644-23-6
• SMILES: C1=CC4=C(C2=C(C3=C(C(=C12)CO[S]([O-])(=O)=O)C=CC=C3)CO)C=CC=C4.[Na+]
• 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
• InChIKey: AHUDTEAAGOPIHP-UHFFFAOYSA-M