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

Systemtic Name: 4-methoxy-7-propan-2-yl-3-propyl-azulene-1-sulfonic acid Openeye Name: 7-isopropyl-4-methoxy-3-propyl-azulene-1-sulfonic acid CAS Name: 4-methoxy-7-propan-2-yl-3-propyl-1-azulenesulfonic acid IUPAC Name: 4-methoxy-7-propan-2-yl-3-propylazulene-1-sulfonic acid Traditional Name: 7-isopropyl-4-methoxy-3-propyl-azulene-1-sulfonic acid Formula: C17H22O4S MolecularWeight: 322.41918

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C1=C(C=CC(=C2)C(C)C)OC)S(=O)(=O)O

Isomeric SMILES

CCCC1=CC(=C2C1=C(C=CC(=C2)C(C)C)OC)S(=O)(=O)O

InChI

InChI=1S/C17H22O4S/c1-5-6-13-10-16(22(18,19)20)14-9-12(11(2)3)7-8-15(21-4)17(13)14/h7-11H,5-6H2,1-4H3,(H,18,19,20)