sodium 3-ethyl-4-methoxy-7-propan-2-yl-azulene-1-sulfonate

Systemtic Name: sodium 3-ethyl-4-methoxy-7-propan-2-yl-azulene-1-sulfonate Openeye Name: sodium 3-ethyl-7-isopropyl-4-methoxy-azulene-1-sulfonate CAS Name: sodium 3-ethyl-4-methoxy-7-propan-2-yl-1-azulenesulfonate IUPAC Name: sodium 3-ethyl-4-methoxy-7-propan-2-ylazulene-1-sulfonate Traditional Name: sodium 3-ethyl-7-isopropyl-4-methoxy-azulene-1-sulfonate Formula: C16H19NaO4S MolecularWeight: 330.37443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C1=C(C=CC(=C2)C(C)C)OC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC1=CC(=C2C1=C(C=CC(=C2)C(C)C)OC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H20O4S.Na/c1-5-11-9-15(21(17,18)19)13-8-12(10(2)3)6-7-14(20-4)16(11)13;/h6-10H,5H2,1-4H3,(H,17,18,19);/q;+1/p-1