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sodium 3-butyl-7-propan-2-yl-azulene-1-sulfonate

sodium 3-butyl-7-propan-2-yl-azulene-1-sulfonate

Systemtic Name:sodium 3-butyl-7-propan-2-yl-azulene-1-sulfonate
Openeye Name:sodium 3-butyl-7-isopropyl-azulene-1-sulfonate
CAS Name:sodium 3-butyl-7-propan-2-yl-1-azulenesulfonate
IUPAC Name:sodium 3-butyl-7-propan-2-ylazulene-1-sulfonate
Traditional Name:sodium 3-butyl-7-isopropyl-azulene-1-sulfonate
Formula: C17H21NaO3S
MolecularWeight: 328.40161
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC=C(C=C2C(=C1)S(=O)(=O)[O-])C(C)C.[Na+]


Isomeric SMILES

CCCCC1=C2C=CC=C(C=C2C(=C1)S(=O)(=O)[O-])C(C)C.[Na+]


InChI

InChI=1S/C17H22O3S.Na/c1-4-5-7-14-11-17(21(18,19)20)16-10-13(12(2)3)8-6-9-15(14)16;/h6,8-12H,4-5,7H2,1-3H3,(H,18,19,20);/q;+1/p-1


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