(7R,8S,9S,10S)-7,8,9-Trihydroxy-7,8,9,10-Tetrahydrobenzo[a]Pyrene-10-Sulfonic Acid
[CAS# 124443-16-9]

Identification

• Name: (7R,8S,9S,10S)-7,8,9-Trihydroxy-7,8,9,10-Tetrahydrobenzo[a]Pyrene-10-Sulfonic Acid
• Synonyms: (7Alpha,8Beta,9Beta,10Alpha)-7,8,9,10-Tetrahydro-7,8,9-Trihydroxybenzo(A)Pyrene-10-Sulfonic Acid; 7,8,9-Trihydroxy-7,8,9,10-Tetrahydrobenzo(A)Pyrene-10-Sulfonate; Benzo(A)Pyrene-10-Sulfonic Acid, 7,8,9,10-Tetrahydro-7,8,9-Trihydroxy-, (7Alpha,8Beta,9Beta,10Alpha)-, (+-)-
• Molecular Formula: C₂₀H₁₆O₆S
• Molecular Weight: 384.40
• CAS Registry Number: 124443-16-9
• SMILES: [C@H]2(C1=CC3=CC=C4C=CC=C5C=CC(=C1[C@@H]([C@H]([C@H]2O)O)[S](=O)(=O)O)C3=C45)O
• InChI: 1S/C20H16O6S/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)20(27(24,25)26)19(23)18(17)22/h1-8,17-23H,(H,24,25,26)/t17-,18+,19+,20+/m1/s1
• InChIKey: GTWWVQRQJNLCLW-FYQPLNBISA-N

Properties

• Density: 1.728g/cm³ (Cal.)