4-acetyloxypyrene-1,2,3-trisulfonate

Systemtic Name: 4-acetyloxypyrene-1,2,3-trisulfonate Openeye Name: 4-acetoxypyrene-1,2,3-trisulfonate CAS Name: 4-acetyloxypyrene-1,2,3-trisulfonate IUPAC Name: 4-acetyloxypyrene-1,2,3-trisulfonate Traditional Name: 4-acetoxypyrene-1,2,3-trisulfonate Formula: C18H9O11S3-3 MolecularWeight: 497.45246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=CC=CC3=C2C4=C(C=C3)C(=C(C(=C14)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC2=CC=CC3=C2C4=C(C=C3)C(=C(C(=C14)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C18H12O11S3/c1-8(19)29-12-7-10-4-2-3-9-5-6-11-14(13(9)10)15(12)17(31(23,24)25)18(32(26,27)28)16(11)30(20,21)22/h2-7H,1H3,(H,20,21,22)(H,23,24,25)(H,26,27,28)/p-3