Vat Violet 10

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Catalog Number
ACM128643
Product Name
Vat Violet 10
Structure
Structure
CAS
128-64-3
Category
Vat Dyes
IUPAC Name
nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(30),2,4,6,8,10,13,15,17(31),18,20(32),21,23,25,28,33-hexadecaene-12,27-dione
Molecular Weight
456.5g/mol
Molecular Formula
C34H16O2
Canonical SMILES
C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C6=CC=C7C8=C(C=CC5=C68)C9=CC=CC=C9C7=O)C2=O
InChI
InChI=1S/C34H16O2/c35-33-25-7-3-1-5-17(25)19-9-11-21-24-14-16-28-32-20(18-6-2-4-8-26(18)34(28)36)10-12-22(30(24)32)23-13-15-27(33)31(19)29(21)23/h1-16H
InChI Key
BSIHWSXXPBAGTC-UHFFFAOYSA-N
Complexity
877
Covalently-Bonded Unit Count
1
EC Number
204-901-1
Exact Mass
456.11503g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
0
Heavy Atom Count
36
Monoisotopic Mass
456.11503g/mol
NSC Number
5268
Rotatable Bond Count
0
XLogP3
8
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