(8S,9S)-7,8,9-tris(oxidanyl)-7,8,9,10-tetrahydrobenzo[a]pyrene-10-sulfonic acid

Systemtic Name: (8S,9S)-7,8,9-tris(oxidanyl)-7,8,9,10-tetrahydrobenzo[a]pyrene-10-sulfonic acid Openeye Name: (8S,9S)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene-10-sulfonic acid CAS Name: (8S,9S)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene-10-sulfonic acid IUPAC Name: (8S,9S)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene-10-sulfonic acid Traditional Name: (8S,9S)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene-10-sulfonic acid Formula: C20H16O6S MolecularWeight: 384.40244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C(C(C(C5O)O)O)S(=O)(=O)O)C=C2

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C([C@H]([C@H](C5O)O)O)S(=O)(=O)O)C=C2

InChI

InChI=1S/C20H16O6S/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)20(27(24,25)26)19(23)18(17)22/h1-8,17-23H,(H,24,25,26)/t17?,18-,19-,20?/m0/s1