Vat Violet 1

19,33-dichlorononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6,8,10,14,17,19,21,23,25,28(32),29-hexadecaene-12,27-dione

CAS: 81-28-7

Molecular Formula	`C34H14Cl2O2`
Molecular Weight	525.4 g/mol
LogP	9.3
Topological Polar Surface Area	34.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	0
Exact Mass	524.0371
Heavy Atoms	38
Complexity	946.0

Chemical Identifiers

CAS Number	81-28-7
SMILES	`C1=CC=C2C(=C1)C3=C(C=C4C5=C6C(=CC(=C7C6=C(C=C5)C(=O)C8=CC=CC=C87)Cl)C9=C4C3=C(C2=O)C=C9)Cl`
InChIKey	`KOTVVDDZWMCZBT-UHFFFAOYSA-N`

📖 Product Overview

Vat Violet 1 (CAS: 81-28-7) is a chemical compound with molecular formula C34H14Cl2O2 and molecular weight 525.4 g/mol. Its IUPAC systematic name is 19,33-dichlorononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6,8,10,14,17,19,21,23,25,28(32),29-hexadecaene-12,27-dione. LogP 9.3 Topological Polar Surface Area 34.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 0 Exact Mass 524.0371 Heavy Atoms 38 Complexity 946.0 InChI Key: KOTVVDDZWMCZBT-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C3=C(C=C4C5=C6C(=CC(=C7C6=C(C=C5)C(=O)C8=CC=CC=C87)Cl)C9=C4C3=C(C2=O)C=C9)Cl.

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