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4-ethoxy-3-ethyl-6-propan-2-yl-azulene-1-sulfonic acid

4-ethoxy-3-ethyl-6-propan-2-yl-azulene-1-sulfonic acid

Systemtic Name:4-ethoxy-3-ethyl-6-propan-2-yl-azulene-1-sulfonic acid
Openeye Name:4-ethoxy-3-ethyl-6-isopropyl-azulene-1-sulfonic acid
CAS Name:4-ethoxy-3-ethyl-6-propan-2-yl-1-azulenesulfonic acid
IUPAC Name:4-ethoxy-3-ethyl-6-propan-2-ylazulene-1-sulfonic acid
Traditional Name:4-ethoxy-3-ethyl-6-isopropyl-azulene-1-sulfonic acid
Formula: C17H22O4S
MolecularWeight: 322.41918
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C1=C(C=C(C=C2)C(C)C)OCC)S(=O)(=O)O


Isomeric SMILES

CCC1=CC(=C2C1=C(C=C(C=C2)C(C)C)OCC)S(=O)(=O)O


InChI

InChI=1S/C17H22O4S/c1-5-12-10-16(22(18,19)20)14-8-7-13(11(3)4)9-15(17(12)14)21-6-2/h7-11H,5-6H2,1-4H3,(H,18,19,20)


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