sodium 5-propan-2-ylazulene-1-sulfonate

Systemtic Name: sodium 5-propan-2-ylazulene-1-sulfonate Openeye Name: sodium 5-isopropylazulene-1-sulfonate CAS Name: sodium 5-propan-2-yl-1-azulenesulfonate IUPAC Name: sodium 5-propan-2-ylazulene-1-sulfonate Traditional Name: sodium 5-isopropylazulene-1-sulfonate Formula: C13H13NaO3S MolecularWeight: 272.29529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C(C=CC2=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)C1=CC=CC2=C(C=CC2=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H14O3S.Na/c1-9(2)10-4-3-5-12-11(8-10)6-7-13(12)17(14,15)16;/h3-9H,1-2H3,(H,14,15,16);/q;+1/p-1