benzenethiol; decanedioate

Systemtic Name: benzenethiol; decanedioate Openeye Name: benzenethiol; decanedioate CAS Name: benzenethiol; decanedioate IUPAC Name: benzenethiol; decanedioate Traditional Name: benzenethiol; sebacate Formula: C22H28O4S2-2 MolecularWeight: 420.58532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S.C1=CC=C(C=C1)S.C(CCCCC(=O)[O-])CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S.C1=CC=C(C=C1)S.C(CCCCC(=O)[O-])CCCC(=O)[O-]

InChI

InChI=1S/C10H18O4.2C6H6S/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;2*7-6-4-2-1-3-5-6/h1-8H2,(H,11,12)(H,13,14);2*1-5,7H/p-2