sodium 3-ethyl-7-propan-2-yl-azulene-1-sulfonic acid

Systemtic Name: sodium 3-ethyl-7-propan-2-yl-azulene-1-sulfonic acid Openeye Name: sodium 3-ethyl-7-isopropyl-azulene-1-sulfonic acid CAS Name: sodium 3-ethyl-7-propan-2-yl-1-azulenesulfonic acid IUPAC Name: sodium 3-ethyl-7-propan-2-ylazulene-1-sulfonic acid Traditional Name: sodium 3-ethyl-7-isopropyl-azulene-1-sulfonic acid Formula: C15H18NaO3S+ MolecularWeight: 301.35639

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=CC=C(C=C2C(=C1)S(=O)(=O)O)C(C)C.[Na+]

Isomeric SMILES

CCC1=C2C=CC=C(C=C2C(=C1)S(=O)(=O)O)C(C)C.[Na+]

InChI

InChI=1S/C15H18O3S.Na/c1-4-11-9-15(19(16,17)18)14-8-12(10(2)3)6-5-7-13(11)14;/h5-10H,4H2,1-3H3,(H,16,17,18);/q;+1