8-tetradecoxypyrene-1,3,6-trisulfonate

Systemtic Name: 8-tetradecoxypyrene-1,3,6-trisulfonate Openeye Name: 8-tetradecoxypyrene-1,3,6-trisulfonate CAS Name: 8-tetradecoxypyrene-1,3,6-trisulfonate IUPAC Name: 8-tetradecoxypyrene-1,3,6-trisulfonate Traditional Name: 8-myristyloxypyrene-1,3,6-trisulfonate Formula: C30H35O10S3-3 MolecularWeight: 651.7879

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C30H38O10S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-40-25-19-26(41(31,32)33)22-16-17-24-28(43(37,38)39)20-27(42(34,35)36)23-15-14-21(25)29(22)30(23)24/h14-17,19-20H,2-13,18H2,1H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)/p-3