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

Systemtic Name: 7-propan-2-yl-3-propyl-azulene-1-sulfonic acid Openeye Name: 7-isopropyl-3-propyl-azulene-1-sulfonic acid CAS Name: 7-propan-2-yl-3-propyl-1-azulenesulfonic acid IUPAC Name: 7-propan-2-yl-3-propylazulene-1-sulfonic acid Traditional Name: 7-isopropyl-3-propyl-azulene-1-sulfonic acid Formula: C16H20O3S MolecularWeight: 292.3932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C=CC=C(C=C2C(=C1)S(=O)(=O)O)C(C)C

Isomeric SMILES

CCCC1=C2C=CC=C(C=C2C(=C1)S(=O)(=O)O)C(C)C

InChI

InChI=1S/C16H20O3S/c1-4-6-13-10-16(20(17,18)19)15-9-12(11(2)3)7-5-8-14(13)15/h5,7-11H,4,6H2,1-3H3,(H,17,18,19)