hexanedioate; phthalate; prop-1-ene

Systemtic Name: hexanedioate; phthalate; prop-1-ene Openeye Name: hexanedioate; phthalate; prop-1-ene CAS Name: hexanedioate; phthalate; 1-propene IUPAC Name: hexanedioate; phthalate; prop-1-ene Traditional Name: adipate; phthalate; prop-1-ene Formula: C17H18O8-4 MolecularWeight: 350.32002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.C6H10O4.C3H6/c9-7(10)5-3-1-2-4-6(5)8(11)12;7-5(8)3-1-2-4-6(9)10;1-3-2/h1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);3H,1H2,2H3/p-4