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sodium 3-(cyclopropylmethyl)-7-propan-2-yl-azulene-1-sulfonate

sodium 3-(cyclopropylmethyl)-7-propan-2-yl-azulene-1-sulfonate

Systemtic Name:sodium 3-(cyclopropylmethyl)-7-propan-2-yl-azulene-1-sulfonate
Openeye Name:sodium 3-(cyclopropylmethyl)-7-isopropyl-azulene-1-sulfonate
CAS Name:sodium 3-(cyclopropylmethyl)-7-propan-2-yl-1-azulenesulfonate
IUPAC Name:sodium 3-(cyclopropylmethyl)-7-propan-2-ylazulene-1-sulfonate
Traditional Name:sodium 3-(cyclopropylmethyl)-7-isopropyl-azulene-1-sulfonate
Formula: C17H19NaO3S
MolecularWeight: 326.38573
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C(C=C(C2=C1)S(=O)(=O)[O-])CC3CC3.[Na+]


Isomeric SMILES

CC(C)C1=CC=CC2=C(C=C(C2=C1)S(=O)(=O)[O-])CC3CC3.[Na+]


InChI

InChI=1S/C17H20O3S.Na/c1-11(2)13-4-3-5-15-14(8-12-6-7-12)10-17(16(15)9-13)21(18,19)20;/h3-5,9-12H,6-8H2,1-2H3,(H,18,19,20);/q;+1/p-1


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