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

Systemtic Name: sodium 3-pentyl-7-propan-2-yl-azulene-1-sulfonate Openeye Name: sodium 7-isopropyl-3-pentyl-azulene-1-sulfonate CAS Name: sodium 3-pentyl-7-propan-2-yl-1-azulenesulfonate IUPAC Name: sodium 3-pentyl-7-propan-2-ylazulene-1-sulfonate Traditional Name: sodium 3-amyl-7-isopropyl-azulene-1-sulfonate Formula: C18H23NaO3S MolecularWeight: 342.42819

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C=CC=C(C=C2C(=C1)S(=O)(=O)[O-])C(C)C.[Na+]

Isomeric SMILES

CCCCCC1=C2C=CC=C(C=C2C(=C1)S(=O)(=O)[O-])C(C)C.[Na+]

InChI

InChI=1S/C18H24O3S.Na/c1-4-5-6-8-15-12-18(22(19,20)21)17-11-14(13(2)3)9-7-10-16(15)17;/h7,9-13H,4-6,8H2,1-3H3,(H,19,20,21);/q;+1/p-1