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

Systemtic Name: 3-methyl-5-propan-2-yl-azulene-1-sulfonic acid Openeye Name: 5-isopropyl-3-methyl-azulene-1-sulfonic acid CAS Name: 3-methyl-5-propan-2-yl-1-azulenesulfonic acid IUPAC Name: 3-methyl-5-propan-2-ylazulene-1-sulfonic acid Traditional Name: 5-isopropyl-3-methyl-azulene-1-sulfonic acid Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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