3,8-dimethyl-5-propan-2-yl-azulene-1-sulfonic acid; sodium

Systemtic Name: 3,8-dimethyl-5-propan-2-yl-azulene-1-sulfonic acid; sodium Openeye Name: 5-isopropyl-3,8-dimethyl-azulene-1-sulfonic acid; sodium CAS Name: 3,8-dimethyl-5-propan-2-yl-1-azulenesulfonic acid; sodium IUPAC Name: 3,8-dimethyl-5-propan-2-ylazulene-1-sulfonic acid; sodium Traditional Name: 5-isopropyl-3,8-dimethyl-azulene-1-sulfonic acid; sodium Formula: C15H18NaO3S MolecularWeight: 301.35639

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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.[Na]

Isomeric SMILES

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

InChI

InChI=1S/C15H18O3S.Na/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);