butan-2-ylbenzene; (E)-but-2-enedioate

Systemtic Name: butan-2-ylbenzene; (E)-but-2-enedioate Openeye Name: (E)-but-2-enedioate; sec-butylbenzene CAS Name: butan-2-ylbenzene; (E)-2-butenedioate IUPAC Name: butan-2-ylbenzene; (E)-but-2-enedioate Traditional Name: sec-butylbenzene fumarate Formula: C14H16O4-2 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=CC=C1.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C10H14.C4H4O4/c1-3-9(2)10-7-5-4-6-8-10;5-3(6)1-2-4(7)8/h4-9H,3H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+