3-(2-sulfonaphthalen-1-yl)cyclohexa-2,6-diene-1,2-disulfonic acid

Systemtic Name: 3-(2-sulfonaphthalen-1-yl)cyclohexa-2,6-diene-1,2-disulfonic acid Openeye Name: 3-(2-sulfo-1-naphthyl)cyclohexa-2,6-diene-1,2-disulfonic acid CAS Name: 3-(2-sulfo-1-naphthalenyl)cyclohexa-2,6-diene-1,2-disulfonic acid IUPAC Name: 3-(2-sulfonaphthalen-1-yl)cyclohexa-2,6-diene-1,2-disulfonic acid Traditional Name: 3-(2-sulfo-1-naphthyl)cyclohexa-2,6-diene-1,2-disulfonic acid Formula: C16H14O9S3 MolecularWeight: 446.47196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=C1)S(=O)(=O)O)S(=O)(=O)O)C2=C(C=CC3=CC=CC=C32)S(=O)(=O)O

Isomeric SMILES

C1CC(=C(C(=C1)S(=O)(=O)O)S(=O)(=O)O)C2=C(C=CC3=CC=CC=C32)S(=O)(=O)O

InChI

InChI=1S/C16H14O9S3/c17-26(18,19)13-9-8-10-4-1-2-5-11(10)15(13)12-6-3-7-14(27(20,21)22)16(12)28(23,24)25/h1-2,4-5,7-9H,3,6H2,(H,17,18,19)(H,20,21,22)(H,23,24,25)