9,10-dibutoxyanthracene-2-sulfonic acid

Systemtic Name: 9,10-dibutoxyanthracene-2-sulfonic acid Openeye Name: 9,10-dibutoxyanthracene-2-sulfonic acid CAS Name: 9,10-dibutoxy-2-anthracenesulfonic acid IUPAC Name: 9,10-dibutoxyanthracene-2-sulfonic acid Traditional Name: 9,10-dibutoxyanthracene-2-sulfonic acid Formula: C22H26O5S MolecularWeight: 402.50384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OCCCC)S(=O)(=O)O

Isomeric SMILES

CCCCOC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OCCCC)S(=O)(=O)O

InChI

InChI=1S/C22H26O5S/c1-3-5-13-26-21-17-9-7-8-10-18(17)22(27-14-6-4-2)20-15-16(28(23,24)25)11-12-19(20)21/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,24,25)