sodium 1,2,3,4,4a,5,10,10a-octahydroanthracene-1-sulfonate

Systemtic Name: sodium 1,2,3,4,4a,5,10,10a-octahydroanthracene-1-sulfonate Openeye Name: sodium 1,2,3,4,4a,5,10,10a-octahydroanthracene-1-sulfonate CAS Name: sodium 1,2,3,4,4a,5,10,10a-octahydroanthracene-1-sulfonate IUPAC Name: sodium 1,2,3,4,4a,5,10,10a-octahydroanthracene-1-sulfonate Traditional Name: sodium 1,2,3,4,4a,5,10,10a-octahydroanthracene-1-sulfonate Formula: C14H17NaO3S MolecularWeight: 288.33775

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC3CC=CC=C3C=C2C(C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1CC2CC3CC=CC=C3C=C2C(C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H18O3S.Na/c15-18(16,17)14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14;/h1-2,5,9-10,12,14H,3-4,6-8H2,(H,15,16,17);/q;+1/p-1