7-dodecyl-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: 7-dodecyl-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: 7-dodecyl-9,10-dioxo-anthracene-2-sulfonate CAS Name: 7-dodecyl-9,10-dioxo-2-anthracenesulfonate IUPAC Name: 7-dodecyl-9,10-dioxoanthracene-2-sulfonate Traditional Name: 9,10-diketo-7-lauryl-anthracene-2-sulfonate Formula: C26H31O5S- MolecularWeight: 455.58634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C26H32O5S/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-21-23(17-19)26(28)24-18-20(32(29,30)31)14-16-22(24)25(21)27/h13-18H,2-12H2,1H3,(H,29,30,31)/p-1