Basic information
- Name:
Naphthalenesulfonicacid, methylenebis-, dipotassium salt (9CI)
- CAS No.:
93939-75-4
- Molecular Structure:
- Formula:
- C21H16K2O6S2
- Molecular Weight:
- 506.67474
- Synonyms:
- Dipotassium methylenebisnaphthalenesulphonate;
- EINECS:
- 300-364-3
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Specification
The Naphthalenesulfonicacid, methylenebis-, dipotassium salt (9CI), with the CAS registry number 93939-75-4, is also known as Dipotassium methylenebisnaphthalenesulphonate. Its EINECS registry number is 300-364-3. This chemical's molecular formula is C21H16K2O6S2 and molecular weight is 506.67474. Its IUPAC name is called dipotassium naphthalen-1-ylsulfonyloxymethyl naphthalene-1-sulfonate.
Physical properties of Naphthalenesulfonicacid, methylenebis-, dipotassium salt (9CI): (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 6; (3)Rotatable Bond Count: 6; (4)Exact Mass: 505.966243; (5)MonoIsotopic Mass: 505.966243; (6)Topological Polar Surface Area: 104; (7)Heavy Atom Count: 31; (8)Formal Charge: 2; (9)Complexity: 687; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)OCOS(=O)(=O)C3=CC=CC4=CC=CC=C43.[K+].[K+]
(2)InChI: InChI=1S/C21H16O6S2.2K/c22-28(23,20-13-5-9-16-7-1-3-11-18(16)20)26-15-27-29(24,25)21-14-6-10-17-8-2-4-12-19(17)21;;/h1-14H,15H2;;/q;2*+1
(3)InChIKey: GGPNIHWMUWWEDY-UHFFFAOYSA-N