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

Systemtic Name: sodium 4-methoxy-3-pentyl-7-propan-2-yl-azulene-1-sulfonate Openeye Name: sodium 7-isopropyl-4-methoxy-3-pentyl-azulene-1-sulfonate CAS Name: sodium 4-methoxy-3-pentyl-7-propan-2-yl-1-azulenesulfonate IUPAC Name: sodium 4-methoxy-3-pentyl-7-propan-2-ylazulene-1-sulfonate Traditional Name: sodium 3-amyl-7-isopropyl-4-methoxy-azulene-1-sulfonate Formula: C19H25NaO4S MolecularWeight: 372.45417

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C2C1=C(C=CC(=C2)C(C)C)OC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCC1=CC(=C2C1=C(C=CC(=C2)C(C)C)OC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H26O4S.Na/c1-5-6-7-8-15-12-18(24(20,21)22)16-11-14(13(2)3)9-10-17(23-4)19(15)16;/h9-13H,5-8H2,1-4H3,(H,20,21,22);/q;+1/p-1