butanedioate; phthalate; prop-1-ene

Systemtic Name: butanedioate; phthalate; prop-1-ene Openeye Name: butanedioate; phthalate; prop-1-ene CAS Name: butanedioate; phthalate; 1-propene IUPAC Name: butanedioate; phthalate; prop-1-ene Traditional Name: phthalate; prop-1-ene; succinate Formula: C18H20O8-4 MolecularWeight: 364.3466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.C4H6O4.2C3H6/c9-7(10)5-3-1-2-4-6(5)8(11)12;5-3(6)1-2-4(7)8;2*1-3-2/h1-4H,(H,9,10)(H,11,12);1-2H2,(H,5,6)(H,7,8);2*3H,1H2,2H3/p-4