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Vat Brown 5
[CAS# 3989-75-1]

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Identification
Name Vat Brown 5
Synonyms (2E)-2-(1-Oxobenzo[E][1]Benzothiol-2-Ylidene)Benzo[E][1]Benzothiol-1-One; 2-(1-Oxobenzo[E]Benzothiophen-2-Ylidene)Benzo[E]Benzothiophen-1-One; (2E)-2-(1-Oxobenzo[E]Benzothiophen-2-Ylidene)Benzo[E]Benzothiophen-1-One
Molecular Structure CAS#: 3989-75-1, Vat Brown 5
Molecular Formula C24H12O2S2
Molecular Weight 396.48
CAS Registry Number 3989-75-1
EINECS 223-633-6
SMILES C1=CC=CC2=CC=C6C(=C12)C(\C(=C3\C(C4=C(S3)C=CC5=CC=CC=C45)=O)S6)=O
InChI 1S/C24H12O2S2/c25-21-19-15-7-3-1-5-13(15)9-11-17(19)27-23(21)24-22(26)20-16-8-4-2-6-14(16)10-12-18(20)28-24/h1-12H/b24-23+
InChIKey RNJIWICOCATEFH-WCWDXBQESA-N
Properties
Density 1.524g/cm3 (Cal.)
Boiling point 575.674°C at 760 mmHg (Cal.)
Flash point 248.26°C (Cal.)
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