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PubChem CID: 90477859
Molecular Formula: C31H33N4NaO8S2
Synonyms: 97889-87-7 Hydrogen[4-[4-(diethylamino)-alpha-(disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium,sodium salt
Molecular Weight: 676.7 g/mol
IUPAC Name: sodium;N-[5-acetamido-2-[[4,4-bis(2-azaniumylethyl)cyclohexa-2,5-dien-1-ylidene]-(2,3-disulfonatonaphthalen-1-yl)methyl]phenyl]ethanimidate
InChI: InChI=1S/C31H34N4O8S2.Na/c1-19(36)34-23-7-8-25(26(18-23)35-20(2)37)28(21-9-11-31(12-10-21,13-15-32)14-16-33)29-24-6-4-3-5-22(24)17-27(44(38,39)40)30(29)45(41,42)43;/h3-12,17-18H,13-16,32-33H2,1-2H3,(H,34,36)(H,35,37)(H,38,39,40)(H,41,42,43);/q;+1/p-1
InChIKey: GAMVFYFKPSSLKR-UHFFFAOYSA-M
Canonical SMILES: CC(=O)NC1=CC(=C(C=C1)C(=C2C=CC(C=C2)(CC[NH3+])CC[NH3+])C3=C(C(=CC4=CC=CC=C43)S(=O)(=O)[O-])S(=O)(=O)[O-])N=C(C)[O-].[Na+]
CAS: 97889-87-7
EC Number: 308-165-3
97889-84-4
97889-85-5
97889-86-6
97889-88-8
97889-89-9
97889-90-2
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