1-hydroxyethyl 2-methylprop-2-enoate; 2-methylidenehexanoate; (Z)-2-methyl-5-sulfo-pent-2-enoate

Systemtic Name: 1-hydroxyethyl 2-methylprop-2-enoate; 2-methylidenehexanoate; (Z)-2-methyl-5-sulfo-pent-2-enoate Openeye Name: 1-hydroxyethyl 2-methylprop-2-enoate; 2-methylenehexanoate; (Z)-2-methyl-5-sulfo-pent-2-enoate CAS Name: 2-methylenehexanoate; 2-methyl-2-propenoic acid 1-hydroxyethyl ester; (Z)-2-methyl-5-sulfo-2-pentenoate IUPAC Name: 1-hydroxyethyl 2-methylprop-2-enoate; 2-methylidenehexanoate; (Z)-2-methyl-5-sulfopent-2-enoate Traditional Name: 2-butylacrylate; 2-methylacrylic acid 1-hydroxyethyl ester; (Z)-2-methyl-5-sulfo-pent-2-enoate Formula: C19H30O10S-2 MolecularWeight: 450.5005

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C)C(=O)[O-].CC(O)OC(=O)C(=C)C.CC(=CCCS(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

CCCCC(=C)C(=O)[O-].CC(O)OC(=O)C(=C)C.C/C(=C/CCS(=O)(=O)O)/C(=O)[O-]

InChI

InChI=1S/C7H12O2.C6H10O5S.C6H10O3/c1-3-4-5-6(2)7(8)9;1-5(6(7)8)3-2-4-12(9,10)11;1-4(2)6(8)9-5(3)7/h2-5H2,1H3,(H,8,9);3H,2,4H2,1H3,(H,7,8)(H,9,10,11);5,7H,1H2,2-3H3/p-2/b;5-3-;