4-methoxy-3-pentyl-7-propan-2-yl-azulene-1-sulfonic acid

Systemtic Name: 4-methoxy-3-pentyl-7-propan-2-yl-azulene-1-sulfonic acid Openeye Name: 7-isopropyl-4-methoxy-3-pentyl-azulene-1-sulfonic acid CAS Name: 4-methoxy-3-pentyl-7-propan-2-yl-1-azulenesulfonic acid IUPAC Name: 4-methoxy-3-pentyl-7-propan-2-ylazulene-1-sulfonic acid Traditional Name: 3-amyl-7-isopropyl-4-methoxy-azulene-1-sulfonic acid Formula: C19H26O4S MolecularWeight: 350.47234

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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

Isomeric SMILES

CCCCCC1=CC(=C2C1=C(C=CC(=C2)C(C)C)OC)S(=O)(=O)O

InChI

InChI=1S/C19H26O4S/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)