Molecule ID: 91825644

IUPAC Name: 3-ethyl-7-propan-2-ylazulene-1-sulfonate

Description: The molecule is an arenesulfonate oxoanion obtained by deprotonation of the sulfo group of egualen. It is a conjugate base of an egualen.

SMILES: CCc1cc(S(=O)(=O)[O-])c2cc(C(C)C)cccc1-2

SELFIES: [C][C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring1][P][Ring1][#Branch2]

InChI: InChI=1S/C15H18O3S/c1-4-11-9-15(19(16,17)18)14-8-12(10(2)3)6-5-7-13(11)14/h5-10H,4H2,1-3H3,(H,16,17,18)/p-1

Molecular Properties:
- Polar Surface Area: 65.6 Ų
- LogP: 3.5