1-ethenyl-3-octadecoxy-benzene; 1-ethenyl-4-octadecoxy-benzene; N-(3-hydroxyphenyl)-2-methyl-prop-2-enamide; prop-2-enoic acid; prop-1-en-2-ylbenzene

Systemtic Name: 1-ethenyl-3-octadecoxy-benzene; 1-ethenyl-4-octadecoxy-benzene; N-(3-hydroxyphenyl)-2-methyl-prop-2-enamide; prop-2-enoic acid; prop-1-en-2-ylbenzene Openeye Name: acrylic acid; N-(3-hydroxyphenyl)-2-methyl-prop-2-enamide; isopropenylbenzene; 1-octadecoxy-3-vinyl-benzene; 1-octadecoxy-4-vinyl-benzene CAS Name: 1-ethenyl-3-octadecoxybenzene; 1-ethenyl-4-octadecoxybenzene; N-(3-hydroxyphenyl)-2-methyl-2-propenamide; 1-methylethenylbenzene; 2-propenoic acid IUPAC Name: 1-ethenyl-3-octadecoxybenzene; 1-ethenyl-4-octadecoxybenzene; N-(3-hydroxyphenyl)-2-methylprop-2-enamide; prop-2-enoic acid; prop-1-en-2-ylbenzene Traditional Name: acrylic acid; N-(3-hydroxyphenyl)-2-methyl-acrylamide; isopropenylbenzene; 1-stearyloxy-3-vinyl-benzene; 1-stearyloxy-4-vinyl-benzene Formula: C74H113NO6 MolecularWeight: 1112.69212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C=C.CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1)C=C.CC(=C)C1=CC=CC=C1.CC(=C)C(=O)NC1=CC(=CC=C1)O.C=CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C=C.CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1)C=C.CC(=C)C1=CC=CC=C1.CC(=C)C(=O)NC1=CC(=CC=C1)O.C=CC(=O)O

InChI

InChI=1S/2C26H44O.C10H11NO2.C9H10.C3H4O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-26-22-20-25(4-2)21-23-26;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-26-22-20-21-25(4-2)24-26;1-7(2)10(13)11-8-4-3-5-9(12)6-8;1-8(2)9-6-4-3-5-7-9;1-2-3(4)5/h4,20-23H,2-3,5-19,24H2,1H3;4,20-22,24H,2-3,5-19,23H2,1H3;3-6,12H,1H2,2H3,(H,11,13);3-7H,1H2,2H3;2H,1H2,(H,4,5)