3-butylanthracene-1,2-disulfonic acid

Systemtic Name: 3-butylanthracene-1,2-disulfonic acid Openeye Name: 3-butylanthracene-1,2-disulfonic acid CAS Name: 3-butylanthracene-1,2-disulfonic acid IUPAC Name: 3-butylanthracene-1,2-disulfonic acid Traditional Name: 3-butylanthracene-1,2-disulfonic acid Formula: C18H18O6S2 MolecularWeight: 394.46192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC3=CC=CC=C3C=C2C(=C1S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCC1=CC2=CC3=CC=CC=C3C=C2C(=C1S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H18O6S2/c1-2-3-6-14-10-15-9-12-7-4-5-8-13(12)11-16(15)18(26(22,23)24)17(14)25(19,20)21/h4-5,7-11H,2-3,6H2,1H3,(H,19,20,21)(H,22,23,24)