propan-2-amine; 2,3,5,6-tetrakis[(E)-prop-1-enyl]benzenesulfonic acid

Systemtic Name: propan-2-amine; 2,3,5,6-tetrakis[(E)-prop-1-enyl]benzenesulfonic acid Openeye Name: propan-2-amine; 2,3,5,6-tetrakis[(E)-prop-1-enyl]benzenesulfonic acid CAS Name: 2-propanamine; 2,3,5,6-tetrakis[(E)-prop-1-enyl]benzenesulfonic acid IUPAC Name: propan-2-amine; 2,3,5,6-tetrakis[(E)-prop-1-enyl]benzenesulfonic acid Traditional Name: isopropylamine; 2,3,5,6-tetrakis[(E)-prop-1-enyl]besylic acid Formula: C21H31NO3S MolecularWeight: 377.54074

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C(=C1C=CC)S(=O)(=O)O)C=CC)C=CC.CC(C)N

Isomeric SMILES

C/C=C/C1=CC(=C(C(=C1/C=C/C)S(=O)(=O)O)/C=C/C)/C=C/C.CC(C)N

InChI

InChI=1S/C18H22O3S.C3H9N/c1-5-9-14-13-15(10-6-2)17(12-8-4)18(22(19,20)21)16(14)11-7-3;1-3(2)4/h5-13H,1-4H3,(H,19,20,21);3H,4H2,1-2H3/b9-5+,10-6+,11-7+,12-8+;