sodium; hydrogen sulfite; 1,2,3-tritert-butylnaphthalene

Systemtic Name: sodium; hydrogen sulfite; 1,2,3-tritert-butylnaphthalene Openeye Name: sodium; hydrogen sulfite; 1,2,3-tritert-butylnaphthalene CAS Name: sodium; hydrogen sulfite; 1,2,3-tritert-butylnaphthalene IUPAC Name: sodium; hydrogen sulfite; 1,2,3-tritert-butylnaphthalene Traditional Name: sodium 1,2,3-tritert-butylnaphthalene bisulfite Formula: C22H33NaO3S MolecularWeight: 400.55039

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=CC=CC=C2C(=C1C(C)(C)C)C(C)(C)C.OS(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)C1=CC2=CC=CC=C2C(=C1C(C)(C)C)C(C)(C)C.OS(=O)[O-].[Na+]

InChI

InChI=1S/C22H32.Na.H2O3S/c1-20(2,3)17-14-15-12-10-11-13-16(15)18(21(4,5)6)19(17)22(7,8)9;;1-4(2)3/h10-14H,1-9H3;;(H2,1,2,3)/q;+1;/p-1