7-(Hydroxymethyl)-12-Methylbenz(A)Anthracene Sulfate Ester
[CAS# 80733-96-6]

Identification

• Name: 7-(Hydroxymethyl)-12-Methylbenz(A)Anthracene Sulfate Ester
• Synonyms: Sodium (12-Methyl-7-Benzo[B]Phenanthrenyl)Methyl Sulfate; Ccris 4240; Sodium 7-Sulfooxymethyl-12-Methylbenz(A)Anthracene
• Molecular Formula: C₂₀H₁₅NaO₄S
• Molecular Weight: 374.39
• CAS Registry Number: 80733-96-6
• SMILES: C1=CC4=C(C2=C(C3=C(C(=C12)CO[S]([O-])(=O)=O)C=CC=C3)C)C=CC=C4.[Na+]
• 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
• InChIKey: YZILXWMIRSSBSH-UHFFFAOYSA-M