8-azanyl-3,6-bis(trioxidanylsulfanyl)-3a,5a-dihydropyrene-1-sulfonic acid

Systemtic Name: 8-azanyl-3,6-bis(trioxidanylsulfanyl)-3a,5a-dihydropyrene-1-sulfonic acid Openeye Name: 8-amino-3,6-bis(trioxidanylsulfanyl)-3a,5a-dihydropyrene-1-sulfonic acid CAS Name: 8-amino-3,6-bis(trioxidanylthio)-3a,5a-dihydropyrene-1-sulfonic acid IUPAC Name: 8-amino-3,6-bis(trioxidanylsulfanyl)-3a,5a-dihydropyrene-1-sulfonic acid Traditional Name: 8-amino-3,6-bis(trioxidanylthio)-3a,5a-dihydropyrene-1-sulfonic acid Formula: C16H13NO9S3 MolecularWeight: 459.47072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=CC(=C3C2=C4C1C(=CC(=C4C=C3)N)SOOO)S(=O)(=O)O)SOOO

Isomeric SMILES

C1=CC2C(=CC(=C3C2=C4C1C(=CC(=C4C=C3)N)SOOO)S(=O)(=O)O)SOOO

InChI

InChI=1S/C16H13NO9S3/c17-11-5-12(27-25-23-18)8-2-3-9-13(28-26-24-19)6-14(29(20,21)22)10-4-1-7(11)15(8)16(9)10/h1-6,8-9,18-19H,17H2,(H,20,21,22)