8-methyl-5-propan-2-yl-azulene-1-sulfonic acid

Systemtic Name: 8-methyl-5-propan-2-yl-azulene-1-sulfonic acid Openeye Name: 5-isopropyl-8-methyl-azulene-1-sulfonic acid CAS Name: 8-methyl-5-propan-2-yl-1-azulenesulfonic acid IUPAC Name: 8-methyl-5-propan-2-ylazulene-1-sulfonic acid Traditional Name: 5-isopropyl-8-methyl-azulene-1-sulfonic acid Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C2C1=C(C=C2)S(=O)(=O)O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C2C1=C(C=C2)S(=O)(=O)O)C(C)C

InChI

InChI=1S/C14H16O3S/c1-9(2)11-5-4-10(3)14-12(8-11)6-7-13(14)18(15,16)17/h4-9H,1-3H3,(H,15,16,17)