sodium 3,8-dimethyl-5-propan-2-yl-azulene-1-sulfonate hydrate

Systemtic Name: sodium 3,8-dimethyl-5-propan-2-yl-azulene-1-sulfonate hydrate Openeye Name: sodium 5-isopropyl-3,8-dimethyl-azulene-1-sulfonate hydrate CAS Name: sodium 3,8-dimethyl-5-propan-2-yl-1-azulenesulfonate hydrate IUPAC Name: sodium 3,8-dimethyl-5-propan-2-ylazulene-1-sulfonate hydrate Traditional Name: sodium 5-isopropyl-3,8-dimethyl-azulene-1-sulfonate hydrate Formula: C15H19NaO4S MolecularWeight: 318.36373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)[O-].O.[Na+]

Isomeric SMILES

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)[O-].O.[Na+]

InChI

InChI=1S/C15H18O3S.Na.H2O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)19(16,17)18;;/h5-9H,1-4H3,(H,16,17,18);;1H2/q;+1;/p-1