2-[11-(1-azaniumylidenepropyl)-6H-benzo[c][1]benzothiepin-11-yl]ethyl-dimethylazanium,(Z)-4-hydroxy-4-oxobut-2-enoate

Modify Date: 2022-07-02 09:08:12

2-[11-(1-azaniumylidenepropyl)-6H-benzo[c][1]benzothiepin-11-yl]ethyl-dimethylazanium,(Z)-4-hydroxy-4-oxobut-2-enoate structure	Common Name	2-[11-(1-azaniumylidenepropyl)-6H-benzo[c][1]benzothiepin-11-yl]ethyl-dimethylazanium,(Z)-4-hydroxy-4-oxobut-2-enoate
	CAS Number	87997-51-1	Molecular Weight	570.65400
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₉H₃₄N₂O₈S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	2-[11-(1-azaniumylidenepropyl)-6H-benzo[c][1]benzothiepin-11-yl]ethyl-dimethylazanium,(Z)-4-hydroxy-4-oxobut-2-enoate

Molecular Formula	C₂₉H₃₄N₂O₈S
Molecular Weight	570.65400
Exact Mass	570.20400
PSA	201.59000
LogP	4.48320
InChIKey	ONVCASUNYHNARU-SPIKMXEPSA-N
SMILES	CCC(=[NH2+])C1(CC[NH+](C)C)c2ccccc2CSc2ccccc21.O=C([O-])C=CC(=O)O.O=C([O-])C=CC(=O)O

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