sodium 3-methyl-5-propan-2-yl-azulene-1-sulfonate

Systemtic Name: sodium 3-methyl-5-propan-2-yl-azulene-1-sulfonate Openeye Name: sodium 5-isopropyl-3-methyl-azulene-1-sulfonate CAS Name: sodium 3-methyl-5-propan-2-yl-1-azulenesulfonate IUPAC Name: sodium 3-methyl-5-propan-2-ylazulene-1-sulfonate Traditional Name: sodium 5-isopropyl-3-methyl-azulene-1-sulfonate Formula: C14H15NaO3S MolecularWeight: 286.32187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O3S.Na/c1-9(2)11-5-4-6-12-13(8-11)10(3)7-14(12)18(15,16)17;/h4-9H,1-3H3,(H,15,16,17);/q;+1/p-1