SPADNS HYDRATE TRISODIUM SALT

CAS No.
23647-14-5
CCD No.
CCD00998369
Formula
C16 H9 N2 O11 S3 . 3 Na . H2 O
MolWeight
588.433

Basic Information

Product Name: SPADNS HYDRATE TRISODIUM SALT
CAS: 23647-14-5
English Synonyms: SPADNS HYDRATE TRISODIUM SALT ; TRISODIUM 2-(4-SULFOPHENYLAZO)-1,8-DIHYDROXYNAPHTHALENE-3,6-DISULFONATE HYDRATE
MDL Number.: MFCD11042670
H bond acceptor: 13
H bond donor: 2
Smile: c1cc(ccc1/N=N/c2c(cc3c(ccc(c3c2O)O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].O.[Na+].[Na+].[Na+]
InChi: InChI=1S/C16H12N2O11S3.3Na.H2O/c19-11-5-6-12(31(24,25)26)10-7-13(32(27,28)29)15(16(20)14(10)11)18-17-8-1-3-9(4-2-8)30(21,22)23;;;;/h1-7,19-20H,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;;1H2/q;3*+1;/p-3/b18-17+;;;;
InChiKey: InChIKey=KGNJDTFNTCPZDH-MJCKVQKWSA-K

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