sodium 4-methoxy-3-methyl-6-propan-2-yl-azulene-1-sulfonate

Systemtic Name: sodium 4-methoxy-3-methyl-6-propan-2-yl-azulene-1-sulfonate Openeye Name: sodium 6-isopropyl-4-methoxy-3-methyl-azulene-1-sulfonate CAS Name: sodium 4-methoxy-3-methyl-6-propan-2-yl-1-azulenesulfonate IUPAC Name: sodium 4-methoxy-3-methyl-6-propan-2-ylazulene-1-sulfonate Traditional Name: sodium 6-isopropyl-4-methoxy-3-methyl-azulene-1-sulfonate Formula: C15H17NaO4S MolecularWeight: 316.34785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C1=C(C=C(C=C2)C(C)C)OC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=C2C1=C(C=C(C=C2)C(C)C)OC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H18O4S.Na/c1-9(2)11-5-6-12-14(20(16,17)18)7-10(3)15(12)13(8-11)19-4;/h5-9H,1-4H3,(H,16,17,18);/q;+1/p-1