ethenylbenzene; 2-ethylhexyl prop-2-enoate; prop-2-enenitrile; prop-2-enoic acid

Systemtic Name: ethenylbenzene; 2-ethylhexyl prop-2-enoate; prop-2-enenitrile; prop-2-enoic acid Openeye Name: acrylic acid; 2-ethylhexyl prop-2-enoate; prop-2-enenitrile; styrene CAS Name: 2-propenenitrile; 2-propenoic acid; 2-propenoic acid 2-ethylhexyl ester; styrene IUPAC Name: 2-ethylhexyl prop-2-enoate; prop-2-enenitrile; prop-2-enoic acid; styrene Traditional Name: acrylic acid; acrylic acid 2-ethylhexyl ester; acrylonitrile; styrene Formula: C25H35NO4 MolecularWeight: 413.5497

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C=C.C=CC#N.C=CC1=CC=CC=C1.C=CC(=O)O

Isomeric SMILES

CCCCC(CC)COC(=O)C=C.C=CC#N.C=CC1=CC=CC=C1.C=CC(=O)O

InChI

InChI=1S/C11H20O2.C8H8.C3H3N.C3H4O2/c1-4-7-8-10(5-2)9-13-11(12)6-3;1-2-8-6-4-3-5-7-8;1-2-3-4;1-2-3(4)5/h6,10H,3-5,7-9H2,1-2H3;2-7H,1H2;2H,1H2;2H,1H2,(H,4,5)