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

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

Systemtic Name:sodium 3,8-dimethyl-5-propan-2-yl-azulene-1-sulfonate
Openeye Name:sodium 5-isopropyl-3,8-dimethyl-azulene-1-sulfonate
CAS Name:sodium 3,8-dimethyl-5-propan-2-yl-1-azulenesulfonate
IUPAC Name:sodium 3,8-dimethyl-5-propan-2-ylazulene-1-sulfonate
Traditional Name:sodium 5-isopropyl-3,8-dimethyl-azulene-1-sulfonate
Formula: C15H17NaO3S
MolecularWeight: 300.34845
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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);/q;+1/p-1


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