Tetrol II 2

CAS Registry Number®

61490-69-5

CAS Name

Tetrol II 2

Molecular Formula

C20H16O4

Molecular Mass

320.34

Cite this Page

Tetrol II 2.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=61490-69-5 (retrieved 2024-11-24) (CAS RN: 61490-69-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/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+/s2

InChIKey

InChIKey=KWFVZAJQUSRMCC-YSQIYKOYNA-N

SMILES

O[C@H]1C=2C=3C4=C5C(=CC3)C=CC=C5C=CC4=CC2[C@@H](O)[C@H](O)[C@H]1O

Canonical SMILES

OC1C=2C=C3C=CC4=CC=CC=5C=CC(=C3C45)C2C(O)C(O)C1O

Other Names for this Substance

  • Benzo[a]pyrene-7,8,9,10-tetrol, 7,8,9,10-tetrahydro-, (7R,8S,9S,10S)-rel-
  • Benzo[a]pyrene-7,8,9,10-tetrol, 7,8,9,10-tetrahydro-, (7α,8β,9α,10α)-
  • rel-(7R,8S,9S,10S)-7,8,9,10-Tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol
  • 7,9,10/8-Tetrahydroxytetrahydrobenzo[a]pyrene
  • 7β,8α,9β,10β-Tetrahydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene

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Deleted or Replaced CAS Registry Numbers

62697-13-6, 73522-51-7

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