sodium 3,4-dimethyl-2-propan-2-yl-azulene-1-sulfonate

Systemtic Name: sodium 3,4-dimethyl-2-propan-2-yl-azulene-1-sulfonate Openeye Name: sodium 2-isopropyl-3,4-dimethyl-azulene-1-sulfonate CAS Name: sodium 3,4-dimethyl-2-propan-2-yl-1-azulenesulfonate IUPAC Name: sodium 3,4-dimethyl-2-propan-2-ylazulene-1-sulfonate Traditional Name: sodium 2-isopropyl-3,4-dimethyl-azulene-1-sulfonate Formula: C15H17NaO3S MolecularWeight: 300.34845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C2C1=C(C(=C2S(=O)(=O)[O-])C(C)C)C.[Na+]

Isomeric SMILES

CC1=CC=CC=C2C1=C(C(=C2S(=O)(=O)[O-])C(C)C)C.[Na+]

InChI

InChI=1S/C15H18O3S.Na/c1-9(2)13-11(4)14-10(3)7-5-6-8-12(14)15(13)19(16,17)18;/h5-9H,1-4H3,(H,16,17,18);/q;+1/p-1