sodium; hydrogen sulfite; 1-(7-methylheptadecan-9-yl)naphthalene

Systemtic Name: sodium; hydrogen sulfite; 1-(7-methylheptadecan-9-yl)naphthalene Openeye Name: sodium; hydrogen sulfite; 1-(3-methyl-1-octyl-nonyl)naphthalene CAS Name: sodium; hydrogen sulfite; 1-(7-methylheptadecan-9-yl)naphthalene IUPAC Name: sodium; hydrogen sulfite; 1-(7-methylheptadecan-9-yl)naphthalene Traditional Name: sodium 1-(3-methyl-1-octyl-nonyl)naphthalene bisulfite Formula: C28H45NaO3S MolecularWeight: 484.70987

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(C)CCCCCC)C1=CC=CC2=CC=CC=C21.OS(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCC(CC(C)CCCCCC)C1=CC=CC2=CC=CC=C21.OS(=O)[O-].[Na+]

InChI

InChI=1S/C28H44.Na.H2O3S/c1-4-6-8-10-11-13-19-26(23-24(3)17-12-9-7-5-2)28-22-16-20-25-18-14-15-21-27(25)28;;1-4(2)3/h14-16,18,20-22,24,26H,4-13,17,19,23H2,1-3H3;;(H2,1,2,3)/q;+1;/p-1