4-(2-methylprop-2-enyl)benzamide; (Z)-2-methyl-5-sulfo-pent-2-enoic acid

Systemtic Name: 4-(2-methylprop-2-enyl)benzamide; (Z)-2-methyl-5-sulfo-pent-2-enoic acid Openeye Name: 4-(2-methylallyl)benzamide; (Z)-2-methyl-5-sulfo-pent-2-enoic acid CAS Name: 4-(2-methylprop-2-enyl)benzamide; (Z)-2-methyl-5-sulfo-2-pentenoic acid IUPAC Name: 4-(2-methylprop-2-enyl)benzamide; (Z)-2-methyl-5-sulfopent-2-enoic acid Traditional Name: 4-(2-methylallyl)benzamide; (Z)-2-methyl-5-sulfo-pent-2-enoic acid Formula: C17H23NO6S MolecularWeight: 369.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC1=CC=C(C=C1)C(=O)N.CC(=CCCS(=O)(=O)O)C(=O)O

Isomeric SMILES

CC(=C)CC1=CC=C(C=C1)C(=O)N.C/C(=C/CCS(=O)(=O)O)/C(=O)O

InChI

InChI=1S/C11H13NO.C6H10O5S/c1-8(2)7-9-3-5-10(6-4-9)11(12)13;1-5(6(7)8)3-2-4-12(9,10)11/h3-6H,1,7H2,2H3,(H2,12,13);3H,2,4H2,1H3,(H,7,8)(H,9,10,11)/b;5-3-