5,6,12,13-Tetrachloro-2,9-dioctylanthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone

CAS Registry Number®

95689-65-9

CAS Name

5,6,12,13-Tetrachloro-2,9-dioctylanthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone

Molecular Formula

C40H38Cl4N2O4

Molecular Mass

752.55

Cite this Page

5,6,12,13-Tetrachloro-2,9-dioctylanthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=95689-65-9 (retrieved 2024-11-23) (CAS RN: 95689-65-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H38Cl4N2O4/c1-3-5-7-9-11-13-15-45-37(47)21-17-25(41)31-33-27(43)19-23-30-24(40(50)46(39(23)49)16-14-12-10-8-6-4-2)20-28(44)34(36(30)33)32-26(42)18-22(38(45)48)29(21)35(31)32/h17-20H,3-16H2,1-2H3

InChIKey

InChIKey=RPHUSZHZKRLRHZ-UHFFFAOYSA-N

SMILES

ClC1=C2C3=C4C(C(=O)N(CCCCCCCC)C(=O)C4=C1)=CC(Cl)=C3C=5C=6C2=C(Cl)C=C7C6C(=CC5Cl)C(=O)N(CCCCCCCC)C7=O

Canonical SMILES

O=C1C2=CC(Cl)=C3C4=C(Cl)C=C5C(=O)N(C(=O)C6=CC(Cl)=C(C=7C(Cl)=CC(C(=O)N1CCCCCCCC)=C2C37)C4=C56)CCCCCCCC

Other Names for this Substance

  • Anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone, 5,6,12,13-tetrachloro-2,9-dioctyl-
  • 5,6,12,13-Tetrachloro-2,9-dioctylanthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone

CAS INSIGHTSTM
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