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

Systemtic Name: sodium 7-propan-2-yl-3-propyl-azulene-1-sulfonate Openeye Name: sodium 7-isopropyl-3-propyl-azulene-1-sulfonate CAS Name: sodium 7-propan-2-yl-3-propyl-1-azulenesulfonate IUPAC Name: sodium 7-propan-2-yl-3-propylazulene-1-sulfonate Traditional Name: sodium 7-isopropyl-3-propyl-azulene-1-sulfonate Formula: C16H19NaO3S MolecularWeight: 314.37503

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C=CC=C(C=C2C(=C1)S(=O)(=O)[O-])C(C)C.[Na+]

Isomeric SMILES

CCCC1=C2C=CC=C(C=C2C(=C1)S(=O)(=O)[O-])C(C)C.[Na+]

InChI

InChI=1S/C16H20O3S.Na/c1-4-6-13-10-16(20(17,18)19)15-9-12(11(2)3)7-5-8-14(13)15;/h5,7-11H,4,6H2,1-3H3,(H,17,18,19);/q;+1/p-1