Benzo(a)pyrene-7-beta,8-alpha,9-beta,10-beta-tetraol
[CAS# 61490-69-5]

Identification

• Name: Benzo(a)pyrene-7-beta,8-alpha,9-beta,10-beta-tetraol
• Synonyms: Benzo(A)Pyrene-7,8,9,10-Tetrol, 7,8,9,10-Tetrahydro-, (7-Alpha,8-Beta,9-Alpha,10-Alpha)- (9Ci); Benzo(A)Pyrene-7-Beta,8-Alpha,9-Beta,10-Beta-Tetraol; Benzo(A)Pyrene-7,8,9,10-Tetrol, 7,8,9,10-Tetrahydro-, (7Alpha,8Beta,9Alpha,10Alpha)-(+-)-
• Molecular Formula: C₂₀H₁₆O₄
• Molecular Weight: 320.34
• CAS Registry Number: 61490-69-5
• SMILES: [C@@H]5(C1=C(C=C4C2=C1C=CC3=C2C(=CC=C3)C=C4)[C@H]([C@@H]([C@H]5O)O)O)O
• InChI: 1S/C20H16O4/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)18(22)20(24)19(17)23/h1-8,17-24H/t17-,18+,19+,20+/m1/s1
• InChIKey: KWFVZAJQUSRMCC-FYQPLNBISA-N