(8-oxidaniumyl-3,6-disulfo-naphthalen-1-yl)oxidanium; [(Z)-3-oxidanyl-1-phenyl-but-2-enylidene]oxidanium; titanium

Systemtic Name: (8-oxidaniumyl-3,6-disulfo-naphthalen-1-yl)oxidanium; [(Z)-3-oxidanyl-1-phenyl-but-2-enylidene]oxidanium; titanium Openeye Name: [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; (8-oxonio-3,6-disulfo-1-naphthyl)oxonium; titanium CAS Name: [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxonium; (8-oxonio-3,6-disulfo-1-naphthalenyl)oxonium; titanium IUPAC Name: [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxidanium; (8-oxonio-3,6-disulfonaphthalen-1-yl)oxidanium; titanium Traditional Name: [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; (8-oxonio-3,6-disulfo-1-naphthyl)oxonium; titanium Formula: C30H32O12S2Ti+4 MolecularWeight: 696.56488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=[OH+])C1=CC=CC=C1)O.CC(=CC(=[OH+])C1=CC=CC=C1)O.C1=C2C=C(C=C(C2=C(C=C1S(=[OH+])(=O)[O-])[OH2+])[OH2+])S(=[OH+])(=O)[O-].[Ti]

Isomeric SMILES

C/C(=C/C(=[OH+])C1=CC=CC=C1)/O.C/C(=C/C(=[OH+])C1=CC=CC=C1)/O.C1=C2C(=C(C=C1S(=O)(=[OH+])[O-])[OH2+])C(=CC(=C2)S(=O)(=[OH+])[O-])[OH2+].[Ti]

InChI

InChI=1S/C10H8O8S2.2C10H10O2.Ti/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;2*1-8(11)7-10(12)9-5-3-2-4-6-9;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);2*2-7,11H,1H3;/p+4/b;2*8-7-;