1-propan-2-ylnaphthalene; 2-sulfobutanedioate

Systemtic Name: 1-propan-2-ylnaphthalene; 2-sulfobutanedioate Openeye Name: 1-isopropylnaphthalene; 2-sulfobutanedioate CAS Name: 1-propan-2-ylnaphthalene; 2-sulfobutanedioate IUPAC Name: 1-propan-2-ylnaphthalene; 2-sulfobutanedioate Traditional Name: 1-isopropylnaphthalene; 2-sulfosuccinate Formula: C17H18O7S-2 MolecularWeight: 366.38562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=CC=CC=C21.C(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC2=CC=CC=C21.C(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/C13H14.C4H6O7S/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;5-3(6)1-2(4(7)8)12(9,10)11/h3-10H,1-2H3;2H,1H2,(H,5,6)(H,7,8)(H,9,10,11)/p-2