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

Systemtic Name: sodium 3-butyl-4-methoxy-7-propan-2-yl-azulene-1-sulfonate Openeye Name: sodium 3-butyl-7-isopropyl-4-methoxy-azulene-1-sulfonate CAS Name: sodium 3-butyl-4-methoxy-7-propan-2-yl-1-azulenesulfonate IUPAC Name: sodium 3-butyl-4-methoxy-7-propan-2-ylazulene-1-sulfonate Traditional Name: sodium 3-butyl-7-isopropyl-4-methoxy-azulene-1-sulfonate Formula: C18H23NaO4S MolecularWeight: 358.42759

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C2C1=C(C=CC(=C2)C(C)C)OC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCC1=CC(=C2C1=C(C=CC(=C2)C(C)C)OC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H24O4S.Na/c1-5-6-7-14-11-17(23(19,20)21)15-10-13(12(2)3)8-9-16(22-4)18(14)15;/h8-12H,5-7H2,1-4H3,(H,19,20,21);/q;+1/p-1